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289628-90-6 | Benzoic acid, 4-[(2-hydroxy-5-methoxybenzoyl)amino]-, ethyl ester
CAS No: 289628-90-6 Catalog No: AG002UZS MDL No:
Product Description
Catalog Number:
AG002UZS
Chemical Name:
Benzoic acid, 4-[(2-hydroxy-5-methoxybenzoyl)amino]-, ethyl ester
CAS Number:
289628-90-6
Molecular Formula:
C17H17NO5
Molecular Weight:
315.3206
IUPAC Name:
ethyl 4-[(2-hydroxy-5-methoxybenzoyl)amino]benzoate
InChI:
InChI=1S/C17H17NO5/c1-3-23-17(21)11-4-6-12(7-5-11)18-16(20)14-10-13(22-2)8-9-15(14)19/h4-10,19H,3H2,1-2H3,(H,18,20)
InChI Key:
SSCMOLHVAOUDPY-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1)NC(=O)c1cc(OC)ccc1O
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.111g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
315.325g/mol
Monoisotopic Mass:
315.111g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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