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101-09-7 | Acetic acid, 2-[(3-aminophenyl)amino]-2-oxo-
CAS No: 101-09-7 Catalog No: AG0003F2 MDL No:
Product Description
Catalog Number:
AG0003F2
Chemical Name:
Acetic acid, 2-[(3-aminophenyl)amino]-2-oxo-
CAS Number:
101-09-7
Molecular Formula:
C8H8N2O3
Molecular Weight:
180.1607
IUPAC Name:
2-(3-aminoanilino)-2-oxoacetic acid
InChI:
InChI=1S/C8H8N2O3/c9-5-2-1-3-6(4-5)10-7(11)8(12)13/h1-4H,9H2,(H,10,11)(H,12,13)
InChI Key:
RNEUWLIFSPFBQF-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)NC(=O)C(=O)O
EC Number:
202-914-7
UNII:
SO5S90U8XL
NSC Number:
36979
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.053g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
180.163g/mol
Monoisotopic Mass:
180.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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