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88949-69-3 | Benzoic acid, 3-[[[bis(carboxymethyl)amino]acetyl]amino]-
CAS No: 88949-69-3 Catalog No: AG00487A MDL No:
Product Description
Catalog Number:
AG00487A
Chemical Name:
Benzoic acid, 3-[[[bis(carboxymethyl)amino]acetyl]amino]-
CAS Number:
88949-69-3
Molecular Formula:
C13H14N2O7
Molecular Weight:
310.2595
IUPAC Name:
3-[[2-[bis(carboxymethyl)amino]acetyl]amino]benzoic acid
InChI:
InChI=1S/C13H14N2O7/c16-10(5-15(6-11(17)18)7-12(19)20)14-9-3-1-2-8(4-9)13(21)22/h1-4H,5-7H2,(H,14,16)(H,17,18)(H,19,20)(H,21,22)
InChI Key:
JOEFDDQPOGJASL-UHFFFAOYSA-N
SMILES:
OC(=O)CN(CC(=O)Nc1cccc(c1)C(=O)O)CC(=O)O
Properties
Complexity:
436
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.08g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
310.262g/mol
Monoisotopic Mass:
310.08g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
144A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.7
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