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7-Ethoxycoumarin

7-Ethoxycoumarin structure

CAS No:
31005-02-4
Formula:
C11H10O3
Chemical Name:
7-Ethoxycoumarin
Synonyms:
2H-1-Benzopyran-2-one,7-ethoxy-;Coumarin,7-ethoxy-;7-Ethoxy-2H-1-benzopyran-2-one;7-Ethoxycoumarin;Ethylumbelliferone
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

Description

BEIGE CRYSTALLINE POWDER

7-ethoxycoumarin is a member of the class of coumarins that is umbelliferone in which the hydroxy group at position 7 is replaced by an ethoxy group. It is an aromatic ether and a member of coumarins. It derives from an umbelliferone.

7-Ethoxycoumarin Basic Attributes

Molecular Weight：

190.2

Exact Mass：

190.20

BRN：

146200

EC Number：

250-429-4

UNII：

C8K66XCQ6L

DSSTox ID：

DTXSID30184983

HScode：

2932209090

Characteristics

PSA：

35.5

XLogP3：

2.3

Appearance：

Beige crystalline powder

Density：

1.2±0.1 g/cm3

Melting Point：

89 °C

Boiling Point：

345°C at 760 mmHg

Flash Point：

143.1±21.1 °C

Refractive Index：

1.562

Water Solubility：

Soluble in hot methanol (very faint turbidity), 95% ethanol (50 mg/ml), DMF, and DMSO. Insoluble in water.

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

safety instructions：

22-24/25

Marks：

Hazard note：

Irritant

Drug Information

Metabolism/Metabolites：

7-ethoxycoumarin has known human metabolites that include 2H-1-Benzopyran-2-one, 7-ethoxy-4-hydroxy- and 7-Hydroxycoumarin.

MeSH Entry Terms：

7-ethoxycoumarin

7-Ethoxycoumarin Use and Manufacturing

A substrate for CYP2B6

Computed Properties

Molecular Weight:190.19
XLogP3:2.3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:190.062994177
Monoisotopic Mass:190.062994177
Topological Polar Surface Area:35.5
Heavy Atom Count:14
Complexity:247
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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7-Ethoxycoumarin

CAS No.: 31005-02-4

Content: 99.00%

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CAS No.: 31005-02-4

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