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150973-64-1 | 2-Propenoic acid, 2-cyano-3-(4-hydroxy-3,5-dimethoxyphenyl)-, methyl ester
CAS No: 150973-64-1 Catalog No: AG001MZ8 MDL No:
Product Description
Catalog Number:
AG001MZ8
Chemical Name:
2-Propenoic acid, 2-cyano-3-(4-hydroxy-3,5-dimethoxyphenyl)-, methyl ester
CAS Number:
150973-64-1
Molecular Formula:
C13H13NO5
Molecular Weight:
263.2460
IUPAC Name:
methyl 2-cyano-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
InChI:
InChI=1S/C13H13NO5/c1-17-10-5-8(6-11(18-2)12(10)15)4-9(7-14)13(16)19-3/h4-6,15H,1-3H3
InChI Key:
RIATTXRBOBWMME-UHFFFAOYSA-N
SMILES:
COC(=O)C(=Cc1cc(OC)c(c(c1)OC)O)C#N
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.079g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.249g/mol
Monoisotopic Mass:
263.079g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
88.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.7
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