Benzocycloheptatriene

Benzocycloheptatriene
Compound Structure:
Synonyms: 5H-benzocycloheptene;9H-benzo[7]annulene;5H-benzo[7]annulene;1,2-benzotropilidene;CHEBI:37513;9h-benzocyclo-heptene;5H-Benzo[a]cycloheptene;5H-Benzo[a]cycloheptene
Compound ID: NMPC-645
PubChem ID:

136080
Molecular Formula: C11H10
Canonical SMILES: C1C=CC=CC2=CC=CC=C21
InChIKey: XHVULKQHRQZNMW-UHFFFAOYSA-N
About the compound:
Properties:

Chemical and Physical Properties

Computed Properties

Property Name

Property Value

Molecular Weight

142.20 g/mol

XLogP3

3.7

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

0

Rotatable Bond Count

0

Exact Mass

142.078250319 g/mol

Monoisotopic Mass

142.078250319 g/mol

Topological Polar Surface Area

0Ų

Heavy Atom Count

11

Formal Charge

0

Complexity

177

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: Terminalia catappa
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