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7-(CARBOXYMETHOXY)-4-METHYLCOUMARIN

7-(CARBOXYMETHOXY)-4-METHYLCOUMARIN structure

CAS No:
64700-15-8
Formula:
C12H10O5
Chemical Name:
7-(CARBOXYMETHOXY)-4-METHYLCOUMARIN
Synonyms:
OTAVA-BB BB0110420050;(4-METHYL-2-OXO-2H-CHROMEN-7-YLOXY)-ACETIC ACID;7-(CARBOXYMETHOXY)-4-METHYLCOUMARIN;AKOS BBS-00007535;AKOS AU36-M187;AURORA 153;4-Methyl-2-oxo-2H-1-benzopyran-7-yloxyacetic acid;Acetic acid, 2-[(4-Methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]-
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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7-(CARBOXYMETHOXY)-4-METHYLCOUMARIN Basic Attributes

Molecular Weight：

234.2

Exact Mass：

234.05300

DSSTox ID：

DTXSID20215033

HScode：

2932209090

Characteristics

PSA：

72.8

XLogP3：

1.56480

Density：

1.375±0.06 g/cm3(Predicted)

Melting Point：

206-208 °C(lit.)

Boiling Point：

458.5ºC at 760 mmHg

Flash Point：

183ºC

Safety Information

Hazard category：

IRRITANT

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

Marks：

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:234.20
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:234.05282342
Monoisotopic Mass:234.05282342
Topological Polar Surface Area:72.8
Heavy Atom Count:17
Complexity:360
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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64700-15-8 2-(4-methyl-2-oxochromen-7-yl)oxyacetic acid

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Guide of 7-(CARBOXYMETHOXY)-4-METHYLCOUMARIN

Basic Attributes
Characteristics
Safety Information
Computed Properties
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7-(CARBOXYMETHOXY)-4-METHYLCOUMARIN

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