4-Phenylbut-3-ene-1-yne

4-Phenylbut-3-ene-1-yne
Compound Structure:
Synonyms: (E)-but-1-en-3-yn-1-ylbenzene;1-buten-3-ynylbenzene;935-01-3;4-Phenylbut-3-ene-1-yne;(but-1-en-3-yn-1-yl)benzene; 1E)-1-Buten-3-ynylbenzene #;benzene, (1E)-1-buten-3-ynyl-;(1E)-but-1-en-3-yn-1-ylbenzene;
Compound ID: NMPC-432
PubChem ID:

640895
Molecular Formula: C10H8
Canonical SMILES: C#CC=CC1=CC=CC=C1
InChIKey: FRSPRPODGOIJPJ-XVNBXDOJSA-N
About the compound:
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

316.30 g/mol

XLogP3-AA

2.8

Hydrogen Bond Donor Count

3

Hydrogen Bond Acceptor Count

6

Rotatable Bond Count

3

Exact Mass

316.09468823 g/mol

Monoisotopic Mass

316.09468823 g/mol

Topological Polar Surface Area

96.2Ų

Heavy Atom Count

23

Formal Charge

0

Complexity

419

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

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: Piliostigma thonningii.
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