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Aspinonene

Aspinonene structure

CAS No:
157676-96-5
Formula:
C9H16O4
Chemical Name:
Aspinonene
Synonyms:
aspinonene;CHEMBL249460;DTXSID00849597;J-009436;(E,2R,5S)-2-[(2R,3S)-3-methyloxiran-2-yl]hex-3-ene-1,2,5-triol;(3E,7S)-6,7-anhydro-1,3,4-trideoxy-5-C-(hydroxymethyl)-7-methyl-D-ribo-hept-3-enitol

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Aspinonene Basic Attributes

Molecular Weight：

188.22 g/mol

Exact Mass：

188.104859 g/mol

DSSTox ID：

DTXSID00849597

Characteristics

PSA：

73.2 Å²

Density：

1.254±0.06 g/cm3(Predicted)

Boiling Point：

386.5±37.0 °C(Predicted)

Computed Properties

Molecular Weight:188.22
XLogP3:-1.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:188.10485899
Monoisotopic Mass:188.10485899
Topological Polar Surface Area:73.2
Heavy Atom Count:13
Complexity:204
Defined Atom Stereocenter Count:4
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Aspinonene

Basic Attributes
Characteristics
Computed Properties

Aspinonene

SDS

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