Home Carboxys Benzoic acid, 4-[(3-carboxy-1-oxo-2-propen-1-yl)amino]-, 1-ethyl ester

Benzoic acid, 4-[(3-carboxy-1-oxo-2-propen-1-yl)amino]-, 1-ethyl ester

CAS No.:
200126-82-5
Catalog Number:
AG002CJP
Molecular Formula:
C13H13NO5
Molecular Weight:
263.2460
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Product Description
Catalog Number:
AG002CJP
Chemical Name:
Benzoic acid, 4-[(3-carboxy-1-oxo-2-propen-1-yl)amino]-, 1-ethyl ester
CAS Number:
200126-82-5
Molecular Formula:
C13H13NO5
Molecular Weight:
263.2460
MDL Number:
MFCD00063173
IUPAC Name:
(Z)-4-(4-ethoxycarbonylanilino)-4-oxobut-2-enoic acid
InChI:
InChI=1S/C13H13NO5/c1-2-19-13(18)9-3-5-10(6-4-9)14-11(15)7-8-12(16)17/h3-8H,2H2,1H3,(H,14,15)(H,16,17)/b8-7-
InChI Key:
PGHXVUXXQIGFAM-FPLPWBNLSA-N
SMILES:
CCOC(=O)c1ccc(cc1)NC(=O)C=CC(=O)O
Properties
Complexity:
369  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
263.079g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
263.249g/mol
Monoisotopic Mass:
263.079g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
92.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties