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14737-94-1 | 2-Propenoic acid, 2-chloro-3-phenyl-, methyl ester, (2E)-
CAS No: 14737-94-1 Catalog No: AG001EV9 MDL No:
Product Description
Catalog Number:
AG001EV9
Chemical Name:
2-Propenoic acid, 2-chloro-3-phenyl-, methyl ester, (2E)-
CAS Number:
14737-94-1
Molecular Formula:
C10H9ClO2
Molecular Weight:
196.6303
IUPAC Name:
methyl 2-chloro-3-phenylprop-2-enoate
InChI:
InChI=1S/C10H9ClO2/c1-13-10(12)9(11)7-8-5-3-2-4-6-8/h2-7H,1H3
InChI Key:
OHXMZPBSQGEXEV-UHFFFAOYSA-N
SMILES:
COC(=O)/C(=C\c1ccccc1)/Cl
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.029g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.63g/mol
Monoisotopic Mass:
196.029g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3
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