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13633-27-7 | Benzene, 1,2-hexadien-1-yl-
CAS No: 13633-27-7 Catalog No: AG0011ND MDL No:
Product Description
Catalog Number:
AG0011ND
Chemical Name:
Benzene, 1,2-hexadien-1-yl-
CAS Number:
13633-27-7
Molecular Formula:
C12H14
Molecular Weight:
158.2396
IUPAC Name:
hexa-1,2-dienylbenzene
InChI:
InChI=1S/C12H14/c1-2-3-4-6-9-12-10-7-5-8-11-12/h4-5,7-11H,2-3H2,1H3
InChI Key:
MSIPDVCLKKSQNM-UHFFFAOYSA-N
SMILES:
CCCC=C=Cc1ccccc1
Properties
Complexity:
155
Compound Is Canonicalized:
No
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.11g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.244g/mol
Monoisotopic Mass:
158.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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