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102652-90-4 | Benzoic acid, 2-[(carboxymethyl)amino]-5-methyl-
CAS No: 102652-90-4 Catalog No: AG000818 MDL No:
Product Description
Catalog Number:
AG000818
Chemical Name:
Benzoic acid, 2-[(carboxymethyl)amino]-5-methyl-
CAS Number:
102652-90-4
Molecular Formula:
C10H11NO4
Molecular Weight:
209.1986
IUPAC Name:
2-(carboxymethylamino)-5-methylbenzoic acid
InChI:
InChI=1S/C10H11NO4/c1-6-2-3-8(11-5-9(12)13)7(4-6)10(14)15/h2-4,11H,5H2,1H3,(H,12,13)(H,14,15)
InChI Key:
LEXFTIJGWMMTBH-UHFFFAOYSA-N
SMILES:
OC(=O)CNc1ccc(cc1C(=O)O)C
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.069g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
209.201g/mol
Monoisotopic Mass:
209.069g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
86.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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