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4,5-dimethylpsoralen

4,5-dimethylpsoralen structure

CAS No:
4046-74-6
Formula:
C13H10O3
Chemical Name:
4,5-dimethylpsoralen
Synonyms:
4,5-dimethylpsoralen;7H-Furo(3,2-g)(1)benzopyran-7-one, 2,5-dimethyl-;2,5-dimethylfuro[3,2-g]chromen-7-one;SCHEMBL599471;CTK4I3126;DTXSID50193476;2,5-Dimethyl-7H-furo[3,2-g][1]benzopyran-7-one

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4,5-dimethylpsoralen Basic Attributes

Molecular Weight：

214.22

Exact Mass：

214.063

DSSTox ID：

DTXSID50193476

HScode：

2932999099

Characteristics

PSA：

39.4

XLogP3：

2.6

Density：

1.273±0.06 g/cm3(Predicted)

Melting Point：

165.0-165.5 °C

Boiling Point：

381.5ºC at 760 mmHg

Flash Point：

184.5ºC

Refractive Index：

1.624

Vapor Pressure：

5.05E-06mmHg at 25°C

Drug Information

MeSH Entry Terms：

4,5-dimethylpsoralen

Computed Properties

Molecular Weight:214.22
XLogP3:2.6
Hydrogen Bond Acceptor Count:3
Exact Mass:214.062994177
Monoisotopic Mass:214.062994177
Topological Polar Surface Area:39.4
Heavy Atom Count:16
Complexity:347
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4,5-dimethylpsoralen

Basic Attributes
Characteristics
Drug Information
Computed Properties

4,5-dimethylpsoralen

SDS

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