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14533-94-9 | 2-Propenoic acid, 2-cyano-3-methoxy-3-phenyl-, methyl ester, (2Z)-
CAS No: 14533-94-9 Catalog No: AG001KT3 MDL No:
Product Description
Catalog Number:
AG001KT3
Chemical Name:
2-Propenoic acid, 2-cyano-3-methoxy-3-phenyl-, methyl ester, (2Z)-
CAS Number:
14533-94-9
Molecular Formula:
C12H11NO3
Molecular Weight:
217.2206
IUPAC Name:
methyl 2-cyano-3-methoxy-3-phenylprop-2-enoate
InChI:
InChI=1S/C12H11NO3/c1-15-11(9-6-4-3-5-7-9)10(8-13)12(14)16-2/h3-7H,1-2H3
InChI Key:
PHIQQDNHUZKQIQ-UHFFFAOYSA-N
SMILES:
CO/C(=C(\C(=O)OC)/C#N)/c1ccccc1
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.074g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.224g/mol
Monoisotopic Mass:
217.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.9
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