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85387-68-4 | 5-Hexenoic acid, 6-phenyl-, methyl ester, (5Z)-
CAS No: 85387-68-4 Catalog No: AG004KQO MDL No:
Product Description
Catalog Number:
AG004KQO
Chemical Name:
5-Hexenoic acid, 6-phenyl-, methyl ester, (5Z)-
CAS Number:
85387-68-4
Molecular Formula:
C13H16O2
Molecular Weight:
204.2649
IUPAC Name:
methyl 6-phenylhex-5-enoate
InChI:
InChI=1S/C13H16O2/c1-15-13(14)11-7-3-6-10-12-8-4-2-5-9-12/h2,4-6,8-10H,3,7,11H2,1H3
InChI Key:
CUAFVHKUQUVEAG-UHFFFAOYSA-N
SMILES:
COC(=O)CCC/C=C\c1ccccc1
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.115g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.269g/mol
Monoisotopic Mass:
204.115g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.4
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