1-Phenyl-1-butene (E-isomer)

1-Phenyl-1-butene (E-isomer)
Compound Structure:
Synonyms: (E)-1-Phenyl-1-butene;trans-1-Phenyl-1-butene;1005-64-7;Butenylbenzene;[(E)-but-1-enyl]benzene;Benzene, 1-butenyl-, (E)-;EINECS 260-079-4;(E)-But-1-en-1-ylbenzene;(E)-but-1-enylbenzene;Benzene, 1-butenyl-;(E)-1-butenylbenzene
Compound ID: NMPC-120
PubChem ID:

5370622
Molecular Formula: C10H12
Canonical SMILES: CCC=CC1=CC=CC=C1
InChIKey: MPMBRWOOISTHJV-XVNBXDOJSA-N
About the compound:
Properties:

Chemical and Physical Properties

 

Property Name

Property Value

Molecular Weight

132.20 g/mol

XLogP3

3.6

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

0

Rotatable Bond Count

2

Exact Mass

132.093900383 g/mol

Monoisotopic Mass

132.093900383 g/mol

Topological Polar Surface Area

0Ų

Heavy Atom Count

10

Formal Charge

0

Complexity

96.6

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

1

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem

                                                         
Source Species: Terminalia catappa
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