200,000+ products from a single source!
sales@angenechem.com
200126-82-5 | Benzoic acid, 4-[(3-carboxy-1-oxo-2-propen-1-yl)amino]-, 1-ethyl ester
CAS No: 200126-82-5 Catalog No: AG002CJP MDL No:
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
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
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.