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Valeranone

Valeranone structure

CAS No:
55528-90-0
Formula:
C15H26O
Chemical Name:
Valeranone
Synonyms:
1(2H)-Naphthalenone,octahydro-4a,8a-dimethyl-7-(1-methylethyl)-,(4aR,7S,8aS)-rel-;Valeranone;1(2H)-Naphthalenone,octahydro-4a,8a-dimethyl-7-(1-methylethyl)-,(4aα,7β,8aα)-;1(2H)-Naphthalenone,octahydro-7β-isopropyl-4aα,8aα-dimethyl-;rel-(4aR,7S,8aS)-Octahydro-4a,8a-dimethyl-7-(1-methylethyl)-1(2H)-naphthalenone;(±)-Valeranone;50302-14-2

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Description

Valeranone is a sesquiterpenoid.

Valeranone Basic Attributes

Molecular Weight：

222.37 g/mol

Exact Mass：

222.37

Characteristics

PSA：

17.1 Å²

Density：

0.9712 g/cm³ @ Temp: 20 °C

Boiling Point：

155-156 °C @ Press: 11 Torr

Drug Information

MeSH Entry Terms：

valeranone

Computed Properties

Molecular Weight:222.37
XLogP3:4.4
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:222.198365449
Monoisotopic Mass:222.198365449
Topological Polar Surface Area:17.1
Heavy Atom Count:16
Complexity:294
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Valeranone

Description
Basic Attributes
Characteristics
Drug Information
Computed Properties

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