CAS 3468-01-7|3-methyl-4-oxo-2-phenylchromene-8-carboxylic acid|3-Methylflavone-8-carboxylic acid|3-methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylic acid|3-methyl-4-oxo-2-phenyl-4H-chromene-8-carboxyl...

Molecular Formula

C₁₇H₁₂O₄

Molecular Mass

280.27478

Exact Mass

280.07355886

InChI

InChI=1S/C17H12O4/c1-10-14(18)12-8-5-9-13(17(19)20)16(12)21-15(10)11-6-3-2-4-7-11/h2-9H,1H3,(H,19,20)

InChIKey

KMMBBZOSQNLLMN-UHFFFAOYSA-N

Canonic Smiles

OC(=O)c1cccc2c1oc(c1ccccc1)c(c2=O)C

Isomeric Smiles

o1c2c(cccc2c(=O)c(c1c1ccccc1)C)C(=O)O

JChem

Acid pKa

3.4341683

H Acceptors

H Donor

LogD (pH = 5.5)

0.9656527

LogD (pH = 7.4)

-0.37350392

Log P

3.0205185

Molar Refractivity

78.5845

Polarizability

29.434797

Polar Surface Area

63.6

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

77016

IUPAC Traditional name

3-methyl-4-oxo-2-phenylchromene-8-carboxylic acid 8-carboxy-3-methylflavone

Synonyms

3-Methylflavone-8-carboxylic acid3-methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylic acid8-Carboxy-3-methylflavone3-Methyl-4-oxo-2-phenyl-4H-1-benzopyran-8-carboxylic Acid3-Methylflavone-8-carboxylic acid3-甲基黄酮-8-甲酸

IUPAC name

3-methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylic acid

CAS Number

MDL Number

PubChem SID

Beilstein Number

Physical Property

Safety Information

MSDS Link

Download link

Storage Condition

Refrigerator

GHS Precautionary statements

P261-P305+P351+P338-P302+P352-P321-P405-P501A

TSCA Listed

否

Risk Statements

36/37/38

European Hazard Symbols

Irritant (Xi)

GHS Hazard statements

H315-H319-H335

Safety Statements

26-37

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

Product Information

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