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1147-65-5 | Benzoic acid, 2-[bis(carboxymethyl)amino]-
CAS No: 1147-65-5 Catalog No: AG000F2B MDL No:MFCD00021751
Product Description
Catalog Number:
AG000F2B
Chemical Name:
Benzoic acid, 2-[bis(carboxymethyl)amino]-
CAS Number:
1147-65-5
Molecular Formula:
C11H11NO6
Molecular Weight:
253.2081
MDL Number:
MFCD00021751
IUPAC Name:
2-[bis(carboxymethyl)amino]benzoic acid
InChI:
InChI=1S/C11H11NO6/c13-9(14)5-12(6-10(15)16)8-4-2-1-3-7(8)11(17)18/h1-4H,5-6H2,(H,13,14)(H,15,16)(H,17,18)
InChI Key:
IKEUZCGOPYSHNN-UHFFFAOYSA-N
SMILES:
OC(=O)CN(c1ccccc1C(=O)O)CC(=O)O
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.059g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
253.21g/mol
Monoisotopic Mass:
253.059g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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