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4-(3,4-dihydroxyphenyl)but-3-en-2-one

4-(3,4-dihydroxyphenyl)but-3-en-2-one structure

CAS No:
123694-03-1
Formula:
C10H10O3
Chemical Name:
4-(3,4-dihydroxyphenyl)but-3-en-2-one
Synonyms:
3,4-dihydroxybenzalacetone; 4-(3,4-dihydroxyphenyl)-(E)-3-buten-2-one; 4-(3,4-Dihydroxyphenyl)-3-buten-2-one; 4-(3,4-dihydroxy-phenyl)-but-3-en-2-one; (3E)-4-(3,4-dihydroxyphenyl)-but-3-en-2-one; 3-Buten-2-one,4-(3,4-dihydroxyphenyl)-,(3E); 4-(3,4-Dihydroxy-phenyl)-but-3-en-2-on; 3-Buten-2-one,4-(3,4-dihydroxyphenyl)-,(E);Expand
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4-(3,4-dihydroxyphenyl)but-3-en-2-one Basic Attributes

Molecular Weight：

178.18500

Exact Mass：

178.062994177

DSSTox ID：

DTXSID20703309

Characteristics

PSA：

57.53000

XLogP3：

1.70000

Density：

1.264g/cm3

Melting Point：

173-175ºC

Boiling Point：

382.5ºC

Flash Point：

199.3ºC

Refractive Index：

1.637

Vapor Pressure：

0mmHg at 25°C

Drug Information

MeSH Entry Terms：

osmundacetone

Computed Properties

Molecular Weight:178.18
XLogP3:1.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:178.062994177
Monoisotopic Mass:178.062994177
Topological Polar Surface Area:57.5
Heavy Atom Count:13
Complexity:210
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 123694-03-1

Grade: Industrial Grade

Content: 98%

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Guide of 4-(3,4-dihydroxyphenyl)but-3-en-2-one

Basic Attributes
Characteristics
Drug Information
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