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799763-00-1 | Benzene, 1-butyl-3-ethenyl-
CAS No: 799763-00-1 Catalog No: AG0054F0 MDL No:
Product Description
Catalog Number:
AG0054F0
Chemical Name:
Benzene, 1-butyl-3-ethenyl-
CAS Number:
799763-00-1
Molecular Formula:
C12H16
Molecular Weight:
160.2554
IUPAC Name:
1-butyl-3-ethenylbenzene
InChI:
InChI=1S/C12H16/c1-3-5-7-12-9-6-8-11(4-2)10-12/h4,6,8-10H,2-3,5,7H2,1H3
InChI Key:
MCVHEVPSMITDCZ-UHFFFAOYSA-N
SMILES:
CCCCc1cccc(c1)C=C
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.125g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.26g/mol
Monoisotopic Mass:
160.125g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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