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7-Hydroxyisoflavone

7-Hydroxyisoflavone structure

CAS No:
13057-72-2
Formula:
C15H10O3
Chemical Name:
7-Hydroxyisoflavone
Synonyms:
4H-1-Benzopyran-4-one,7-hydroxy-3-phenyl-;Isoflavone,7-hydroxy-;7-Hydroxy-3-phenyl-4H-1-benzopyran-4-one;7-Hydroxyisoflavone;7-Hydroxy-3-phenylchromen-4-one;NSC 607392;7-Hydroxy-3-phenyl-4H-chromen-4-one
Categories:
Chemical Reagents > Organic Reagents

Description

White solidChEBI: The simplest member of the class of 7-hydroxyisoflavones that is isoflavone with a hydroxy substituent at position 7.

7-hydroxyisoflavone is the simplest member of the class of 7-hydroxyisoflavones that is isoflavone with a hydroxy substituent at position 7. It has a role as an EC 1.14.14.14 (aromatase) inhibitor and a metabolite. It is a conjugate acid of a 7-hydroxyisoflavone(1-).

7-Hydroxyisoflavone Basic Attributes

Molecular Weight：

238.24

Exact Mass：

238.24

NSC Number：

607392

DSSTox ID：

DTXSID90156626

HScode：

29145090

Characteristics

PSA：

46.5

XLogP3：

3.02

Density：

1.340±0.06 g/cm3(Predicted)

Melting Point：

131 °C

Boiling Point：

450.1±45.0 °C(Predicted)

Flash Point：

176.3±22.2 °C

Refractive Index：

1.666

Vapor Pressure：

1.02E-08mmHg at 25°C

Safety Information

Hazard category：

IRRITANT

wgk germany：

hazard class code：

22-36/37/38

safety instructions：

26-37/39

RTECS Number：

DJ3100255

Marks：

Precautionary statement(s)：

P264, P270, P301+P312, P330, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.

Drug Information

Metabolism/Metabolites：

7-Hydroxyisoflavone is a known human metabolite of ipriflavone.

MeSH Entry Terms：

7-hydroxyisoflavone

Computed Properties

Molecular Weight:238.24
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:238.062994177
Monoisotopic Mass:238.062994177
Topological Polar Surface Area:46.5
Heavy Atom Count:18
Complexity:355
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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