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119872-11-6 | 2-Propenoic acid, 2-(benzoylamino)-3-(2,4-dimethoxyphenyl)-, (2Z)-
CAS No: 119872-11-6 Catalog No: AG000PSO MDL No:MFCD00032195
Product Description
Catalog Number:
AG000PSO
Chemical Name:
2-Propenoic acid, 2-(benzoylamino)-3-(2,4-dimethoxyphenyl)-, (2Z)-
CAS Number:
119872-11-6
Molecular Formula:
C18H17NO5
Molecular Weight:
327.3313
MDL Number:
MFCD00032195
IUPAC Name:
(Z)-2-benzamido-3-(2,4-dimethoxyphenyl)prop-2-enoic acid
InChI:
InChI=1S/C18H17NO5/c1-23-14-9-8-13(16(11-14)24-2)10-15(18(21)22)19-17(20)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,19,20)(H,21,22)/b15-10-
InChI Key:
SVBJCKVSNBHCSZ-GDNBJRDFSA-N
SMILES:
COc1cc(OC)ccc1/C=C(/C(=O)O)\NC(=O)c1ccccc1
Properties
Complexity:
470
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
327.111g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
327.336g/mol
Monoisotopic Mass:
327.111g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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