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73626-07-0 | Benzoic acid,4-amino-2-[(4-carboxybenzoyl)amino]-, 1-ethyl ester
CAS No: 73626-07-0 Catalog No: AG005C4O MDL No:
Product Description
Catalog Number:
AG005C4O
Chemical Name:
Benzoic acid,4-amino-2-[(4-carboxybenzoyl)amino]-, 1-ethyl ester
CAS Number:
73626-07-0
Molecular Formula:
C17H16N2O5
Molecular Weight:
328.3193
IUPAC Name:
4-[(5-amino-2-ethoxycarbonylphenyl)carbamoyl]benzoic acid
InChI:
InChI=1S/C17H16N2O5/c1-2-24-17(23)13-8-7-12(18)9-14(13)19-15(20)10-3-5-11(6-4-10)16(21)22/h3-9H,2,18H2,1H3,(H,19,20)(H,21,22)
InChI Key:
WFZMGMGJYJSKFW-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1NC(=O)c1ccc(cc1)C(=O)O)N
Properties
Complexity:
474
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.106g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
328.324g/mol
Monoisotopic Mass:
328.106g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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