sesquiterpenes

sesquiterpenes
Compound Structure:
Synonyms: Sesquiterpenes
Compound ID: NMPC-1481
PubChem ID:

667450
Molecular Formula: C15H18O3
Canonical SMILES: CC1C2CCC3(C=CC(=O)C(=C3C2OC1=O)C)C
InChIKey: XJHDMGJURBVLLE-FMBSFYNOSA-N
About the compound:
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

246.30 g/mol

XLogP3-AA

2.3

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

3

Rotatable Bond Count

0

Exact Mass

246.125594432 g/mol

Monoisotopic Mass

246.125594432 g/mol

Topological Polar Surface Area

43.4Ų

Heavy Atom Count

18

Formal Charge

0

Complexity

500

Isotope Atom Count

0

Defined Atom Stereocenter Count

4

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem                                                                                                                    
Source Species: Cyperus articulatus
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