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4-Methylcoumarin

4-Methylcoumarin structure

CAS No:
607-71-6
Formula:
C10H8O2
Chemical Name:
4-Methylcoumarin
Synonyms:
2H-1-Benzopyran-2-one,4-methyl-;Coumarin,4-methyl-;4-Methyl-2H-1-benzopyran-2-one;4-Methylcoumarin;NSC 20100;4-Methylchromen-2-one
Categories:
Organic Chemistry > Organic Fluorine Compound

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4-Methylcoumarin Basic Attributes

Molecular Weight：

160.16900

Exact Mass：

160.17

EC Number：

210-141-1

UNII：

2YZ8R79U9H

NSC Number：

20100

DSSTox ID：

DTXSID00209516

HScode：

2932209090

Characteristics

PSA：

30.21000

XLogP3：

2.10140

Density：

1.185 g/cm3

Melting Point：

126-127 °C

Boiling Point：

180 °C @ Press: 15 Torr

Flash Point：

120.6ºC

Refractive Index：

1.572

Safety Information

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 39 companies from 1 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:160.17
XLogP3:2.3
Hydrogen Bond Acceptor Count:2
Exact Mass:160.052429494
Monoisotopic Mass:160.052429494
Topological Polar Surface Area:26.3
Heavy Atom Count:12
Complexity:230
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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