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19714-81-9 | Benzoic acid, 3-amino-5-[(2-hydroxyacetyl)amino]-
CAS No: 19714-81-9 Catalog No: AG002AME MDL No:
Product Description
Catalog Number:
AG002AME
Chemical Name:
Benzoic acid, 3-amino-5-[(2-hydroxyacetyl)amino]-
CAS Number:
19714-81-9
Molecular Formula:
C9H10N2O4
Molecular Weight:
210.1867
IUPAC Name:
3-amino-5-[(2-hydroxyacetyl)amino]benzoic acid
InChI:
InChI=1S/C9H10N2O4/c10-6-1-5(9(14)15)2-7(3-6)11-8(13)4-12/h1-3,12H,4,10H2,(H,11,13)(H,14,15)
InChI Key:
OKZGMVXCYARPKZ-UHFFFAOYSA-N
SMILES:
OCC(=O)Nc1cc(N)cc(c1)C(=O)O
NSC Number:
15322
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.064g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
210.189g/mol
Monoisotopic Mass:
210.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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