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[8]-Shogaol

[8]-Shogaol structure

CAS No:
36700-45-5
Formula:
C19H28O3
Chemical Name:
[8]-Shogaol
Synonyms:
4-Dodecen-3-one,1-(4-hydroxy-3-methoxyphenyl)-;1-(4-Hydroxy-3-methoxyphenyl)-4-dodecen-3-one;[8]-Shogaol
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

[8]-Shogaol is a monomethoxybenzene, an enone and a member of phenols.

[8]-Shogaol Basic Attributes

Molecular Weight：

304.42

Exact Mass：

304.42

EC Number：

200-258-5

UNII：

AV4IK2HCNT

Characteristics

PSA：

46.5 Å²

Density：

1.013±0.06 g/cm3

Boiling Point：

452.3±35.0 °C(Predicted)

PKA：

10.01±0.20

Drug Information

MeSH Entry Terms：

(8)-shogaol

Computed Properties

Molecular Weight:304.4
XLogP3:4.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:11
Exact Mass:304.20384475
Monoisotopic Mass:304.20384475
Topological Polar Surface Area:46.5
Heavy Atom Count:22
Complexity:325
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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