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26429-96-9 | 2-Pentenoic acid, 5-phenyl-, methyl ester, (2Z)-
CAS No: 26429-96-9 Catalog No: AG002T6Q MDL No:
Product Description
Catalog Number:
AG002T6Q
Chemical Name:
2-Pentenoic acid, 5-phenyl-, methyl ester, (2Z)-
CAS Number:
26429-96-9
Molecular Formula:
C12H14O2
Molecular Weight:
190.2384
IUPAC Name:
methyl 5-phenylpent-2-enoate
InChI:
InChI=1S/C12H14O2/c1-14-12(13)10-6-5-9-11-7-3-2-4-8-11/h2-4,6-8,10H,5,9H2,1H3
InChI Key:
KRQKLKAPNGLSMF-UHFFFAOYSA-N
SMILES:
COC(=O)/C=C\CCc1ccccc1
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.099g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.242g/mol
Monoisotopic Mass:
190.099g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.2
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