trans-sabinene hydrate

trans-sabinene hydrate
Compound Structure:
Synonyms: trans-Sabinene hydrate
Compound ID: NMPC-1556
PubChem ID:

12315151
Molecular Formula: C10H18O
Canonical SMILES: CC(C)C12CCC(C1C2)(C)O
InChIKey: KXSDPILWMGFJMM-CBMCFHRWSA-N
About the compound:
Properties:

Computed Properties

Property Name

Property Value

Molecular Weight

154.25 g/mol

XLogP3-AA

2.1

Hydrogen Bond Donor Count

1

Hydrogen Bond Acceptor Count

1

Rotatable Bond Count

1

Exact Mass

154.135765193 g/mol

Monoisotopic Mass

154.135765193 g/mol

Topological Polar Surface Area

20.2Ų

Heavy Atom Count

11

Formal Charge

0

Complexity

187

Isotope Atom Count

0

Defined Atom Stereocenter Count

2

Undefined Atom Stereocenter Count

1

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source:PubChem
Source Species: Boswellia dalzielii
Vitex simplicifolia
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