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Molecule
ID:136862
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₁₅H₁₂
Molecular Mass
192.25578
Exact Mass
192.09390038
Charge
0
InChI
InChI=1S/C15H12/c1-11-5-4-8-14-9-12-6-2-3-7-13(12)10-15(11)14/h2-10H,1H3
InChIKey
KZNJSFHJUQDYHE-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc2c1cc1ccccc1c2
Isomeric Smiles
Cc1cccc2c1cc1ccccc1c2
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.4656205
LogD (pH = 7.4)
4.4656205
Log P
4.4656205
Molar Refractivity
63.9996
Polarizability
27.516531
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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General Information
Calculated Properties
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RDKit
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JChem
Data Source
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Commercial Catalog
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Academic Data
Names and Identifiers
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Synonyms
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IUPAC name
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IUPAC Traditional name
Registration numbers
Properties
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Product Information
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Safety Information
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Physical Property
Related Proteins
Molecular Spectra
Molecule Details
References
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PubChem Literature
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From Data Sources
Bioactivity
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PubChem BioAssay
Data Source
Commercial Catalog
Sigma Aldrich
333573
Academic Data
PubChem
11884
Names and Identifiers
Synonyms
1-Methylanthracene
1-甲基蒽
IUPAC name
1-methylanthracene
IUPAC Traditional name
1-methylanthracene
Registration numbers
EC Number
210-224-2
MDL Number
MFCD00015362
CAS Number
610-48-0
PubChem SID
24860148
162231129
PubChem CID
11884
References
PubChem Literature
No Data Available
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Bioactivity
PubChem BioAssay
Registration numbers
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EC Number
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MDL Number
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CAS Number
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PubChem SID
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PubChem CID
Properties
Product Information
Empirical Formula (Hill Notation)
C15H12
Source
Purity
97%
Source
Safety Information
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
Source
German water hazard class
3
Source
MSDS Link
Download link
Source
Physical Property
363 °C(lit.)
Source
86-88 °C(lit.)
Source
Boiling Point
Melting Point