Cadina-1,3,5-triene

Cadina-1,3,5-triene
Compound Structure:
Synonyms: Cadina-1, 3, 8-triene
Compound ID: NMPC-707
PubChem ID:

91750420
Molecular Formula: C15H22
Canonical SMILES: CC1C=CC(C2C1=CC=C(C2)C)C(C)C
InChIKey: JQXHLPPXYMLHFB-IKCIUXDWSA-N
About the compound:
Properties:

Chemical and Physical Properties

Computed Properties

Property Name

Property Value

Molecular Weight

202.33 g/mol

XLogP3-AA

4

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

0

Rotatable Bond Count

1

Exact Mass

202.172150702 g/mol

Monoisotopic Mass

202.172150702 g/mol

Topological Polar Surface Area

0Ų

Heavy Atom Count

15

Formal Charge

0

Complexity

328

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: Cyperus articulatus
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