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89224-78-2 | Benzoic acid, 2-[(carboxymethyl)phenylamino]-5-methoxy-
CAS No: 89224-78-2 Catalog No: AG0043GV MDL No:MFCD20265741
Product Description
Catalog Number:
AG0043GV
Chemical Name:
Benzoic acid, 2-[(carboxymethyl)phenylamino]-5-methoxy-
CAS Number:
89224-78-2
Molecular Formula:
C16H15NO5
Molecular Weight:
301.2940
MDL Number:
MFCD20265741
IUPAC Name:
2-[N-(carboxymethyl)anilino]-5-methoxybenzoic acid
InChI:
InChI=1S/C16H15NO5/c1-22-12-7-8-14(13(9-12)16(20)21)17(10-15(18)19)11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,18,19)(H,20,21)
InChI Key:
UZGBWUYYTOHRQR-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)C(=O)O)N(c1ccccc1)CC(=O)O
Properties
Complexity:
394
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.095g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
301.298g/mol
Monoisotopic Mass:
301.095g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
87.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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