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114177-00-3 | Benzoic acid, 2-[[(aminoiminomethyl)amino]carbonyl]-
CAS No: 114177-00-3 Catalog No: AG000AQH MDL No:
Product Description
Catalog Number:
AG000AQH
Chemical Name:
Benzoic acid, 2-[[(aminoiminomethyl)amino]carbonyl]-
CAS Number:
114177-00-3
Molecular Formula:
C9H9N3O3
Molecular Weight:
207.1861
IUPAC Name:
2-(methanehydrazonoylcarbamoyl)benzoic acid
InChI:
InChI=1S/C9H9N3O3/c10-12-5-11-8(13)6-3-1-2-4-7(6)9(14)15/h1-5H,10H2,(H,14,15)(H,11,12,13)
InChI Key:
SMRDCSIGWUNLCW-UHFFFAOYSA-N
SMILES:
NN=CNC(=O)c1ccccc1C(=O)O
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.064g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
207.189g/mol
Monoisotopic Mass:
207.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.2
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