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6047-69-4 | 5-o-Tolyl-2-pentene, mixture of cis and trans
CAS No: 6047-69-4 Catalog No: AG003MXZ MDL No:
Product Description
Catalog Number:
AG003MXZ
Chemical Name:
5-o-Tolyl-2-pentene, mixture of cis and trans
CAS Number:
6047-69-4
IUPAC Name:
1-methyl-2-pent-3-enylbenzene
InChI:
InChI=1S/C12H16/c1-3-4-5-9-12-10-7-6-8-11(12)2/h3-4,6-8,10H,5,9H2,1-2H3
InChI Key:
NKEQCTWCOZGWSY-UHFFFAOYSA-N
EC Number:
227-943-2
Properties
Complexity:
135
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:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.3
Literature
| Title | Journal |
|---|---|
| DFT, FT-Raman and FT-IR investigations of 5-o-tolyl-2-pentene. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20110901 |
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