CAS 82-57-5|visnagin|4-methoxy-7-methyl-5H-furo[3,2-g]chromen-5-one|Visnagin|4-methoxy-7-methyl-5H-furo[3,2-g]chromen-5-one|齿阿米素|4-甲氧基-7-甲基-5H-呋[3,2-g][1]-苯并吡喃-5-酮|4-Methoxy-7-methyl-...

Molecular Formula

C₁₃H₁₀O₄

Molecular Mass

230.2161

Exact Mass

230.0579088

InChI

InChI=1S/C13H10O4/c1-7-5-9(14)12-11(17-7)6-10-8(3-4-16-10)13(12)15-2/h3-6H,1-2H3

InChIKey

NZVQLVGOZRELTG-UHFFFAOYSA-N

Canonic Smiles

COc1c2c(=O)cc(oc2cc2c1cco2)C

Isomeric Smiles

c12c(c3c(cc2oc(cc1=O)C)occ3)OC

JChem

Acid pKa

14.778841

H Acceptors

H Donor

LogD (pH = 5.5)

1.8730054

LogD (pH = 7.4)

1.8730054

Log P

1.8730054

Molar Refractivity

62.4115

Polarizability

24.348722

Polar Surface Area

48.67

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

6716

IUPAC Traditional name

visnagin

Synonyms

4-methoxy-7-methyl-5H-furo[3,2-g]chromen-5-oneVisnagin齿阿米素4-甲氧基-7-甲基-5H-呋[3,2-g][1]-苯并吡喃-5-酮4-Methoxy-7-methyl-5H-furo[3,2-g][1]-benzopyran-5-one

IUPAC name

4-methoxy-7-methyl-5H-furo[3,2-g]chromen-5-one

PubChem SID

24855274162108069

MDL Number

MFCD00005008

Product Information

Empirical Formula (Hill Notation)

C13H10O4

Purity

97%

Classification

Genuine Natural Compounds

Pharmacology Properties

Gene Information

human ... ADORA3(140)rat ... Adora2a(25369)

Safety Information

GHS Hazard statements

H302

GHS Signal Word

Warning

European Hazard Symbols

Harmful (Xn)

GHS Pictograms

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

German water hazard class

MSDS Link

Download link

Risk Statements

RTECS

LV1420000

Physical Property

Melting Point

140-142 °C(lit.)

Apperance

Yellow powder

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Academic Data

PubChem

6716

IUPAC Traditional name

visnagin

Synonyms

4-methoxy-7-methyl-5H-furo[3,2-g]chromen-5-oneVisnagin齿阿米素4-甲氧基-7-甲基-5H-呋[3,2-g][1]-苯并吡喃-5-酮4-Methoxy-7-methyl-5H-furo[3,2-g][1]-benzopyran-5-one

IUPAC name

4-methoxy-7-methyl-5H-furo[3,2-g]chromen-5-one

PubChem SID

24855274162108069

MDL Number

MFCD00005008

Product Information

Empirical Formula (Hill Notation)

C13H10O4

Purity

97%

Classification

Genuine Natural Compounds

Pharmacology Properties

Gene Information

human ... ADORA3(140)rat ... Adora2a(25369)

Safety Information

GHS Hazard statements

H302

GHS Signal Word

Warning

European Hazard Symbols

Harmful (Xn)

GHS Pictograms

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

German water hazard class

MSDS Link

Download link

Risk Statements

RTECS

LV1420000

Physical Property

Melting Point

140-142 °C(lit.)

Apperance

Yellow powder

No Data Available

Click here to submit data

Molecule

ID:119503