3,7,7-Trimethyl-1,3,5-cycloheptatriene

3,7,7-Trimethyl-1,3,5-cycloheptatriene
Compound Structure:
Synonyms: 3,7,7-trimethylcyclohepta-1,3,5-triene;3479-89-8;C10H14;1,3,5-Cycloheptatriene, 3,7,7-trimethyl-;3,7,7-Trimethyl-1,3,5-cycloheptatriene
Compound ID: NMPC-328
PubChem ID:

576718
Molecular Formula: C10H14
Canonical SMILES: CC1=CC=CC(C=C1)(C)C
InChIKey: VOURXYUVXXLJMD-UHFFFAOYSA-N
About the compound:
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

134.22 g/mol

XLogP3-AA

3.5

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

0

Rotatable Bond Count

0

Exact Mass

134.109550447 g/mol

Monoisotopic Mass

134.109550447 g/mol

Topological Polar Surface Area

0Ų

Heavy Atom Count

10

Formal Charge

0

Complexity

202

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

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: Chenopodium ambrosioides
Chrysophyllum albidum
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