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7-Methoxy-4-methylcoumarin

7-Methoxy-4-methylcoumarin structure

CAS No:
2555-28-4
Formula:
C11H10O3
Chemical Name:
7-Methoxy-4-methylcoumarin
Synonyms:
2H-1-Benzopyran-2-one,7-methoxy-4-methyl-;Coumarin,7-methoxy-4-methyl-;Herniarin,4-methyl-;7-Methoxy-4-methyl-2H-1-benzopyran-2-one;7-Methoxy-4-methylcoumarin;4-Methyl-7-methoxycoumarin;4-Methylherniarin;4-Methylumbelliferone methyl ether;NSC 688805;7-Methoxy-4-methyl-2H-chromen-2-one;7-Methyloxy-4-methylcoumarin;7-Methoxy-4-methyl-chromen-2-one
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

Description

4-Methylherniarin (7-Methoxy-4-methylcoumarin) is a coumarin derivative and fluorescent label, has an antimicrobial activitiy against both gram positive and gram negative bacterial stains. 4-Methylherniarin displays good activity against B. subtilis and S.sonnei with IC50 values of 11.76 μg/ml and 13.47 μg/ml[1].

7-methoxy-4-methyl-1-benzopyran-2-one is a member of coumarins.

7-Methoxy-4-methylcoumarin Basic Attributes

Molecular Weight：

190.2

Exact Mass：

190.20

BRN：

156900

EC Number：

607-744-0

NSC Number：

688805

DSSTox ID：

DTXSID70180242

HScode：

2932209090

Characteristics

PSA：

35.5

XLogP3：

2.2

Appearance：

Off-White Solid

Density：

1.2±0.1 g/cm3

Melting Point：

159 °C

Boiling Point：

340.1°C at 760 mmHg

Flash Point：

140.8±21.1 °C

Refractive Index：

1.556

Water Solubility：

soluble in Methanol. Insoluble in water.DMF: soluble

Vapor Pressure：

8.78E-05mmHg at 25°C

Collision Cross Section：

134.4 Å² [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]

Safety Information

wgk germany：

safety instructions：

22-24/25

Marks：

Hazard note：

Irritant

Stability/Shelf Life：

Moisture, Temperature Sensitive

7-Methoxy-4-methylcoumarin Use and Manufacturing

Used for determination of Cytochrome P450 activity.

Computed Properties

Molecular Weight:190.19
XLogP3:2.2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:190.062994177
Monoisotopic Mass:190.062994177
Topological Polar Surface Area:35.5
Heavy Atom Count:14
Complexity:270
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 7-Methoxy-4-methylcoumarin

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
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7-Methoxy-4-methylcoumarin

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