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128720-08-1 | 2-Propenoic acid, 2-cyano-3-(2-hydroxyphenyl)-, ethyl ester, (2E)-
CAS No: 128720-08-1 Catalog No: AG000YBF MDL No:
Product Description
Catalog Number:
AG000YBF
Chemical Name:
2-Propenoic acid, 2-cyano-3-(2-hydroxyphenyl)-, ethyl ester, (2E)-
CAS Number:
128720-08-1
Molecular Formula:
C12H11NO3
Molecular Weight:
217.2206
IUPAC Name:
ethyl 2-cyano-3-(2-hydroxyphenyl)prop-2-enoate
InChI:
InChI=1S/C12H11NO3/c1-2-16-12(15)10(8-13)7-9-5-3-4-6-11(9)14/h3-7,14H,2H2,1H3
InChI Key:
SPQRQNMTVVNOII-UHFFFAOYSA-N
SMILES:
CCOC(=O)/C(=C/c1ccccc1O)/C#N
Properties
Complexity:
326
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:
1
Isotope Atom Count:
0
Molecular Weight:
217.224g/mol
Monoisotopic Mass:
217.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
70.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.1
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