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87521-81-1 | Benzoic acid, 4-(hydrazinoiminomethyl)-
CAS No: 87521-81-1 Catalog No: AG004HAO MDL No:
Product Description
Catalog Number:
AG004HAO
Chemical Name:
Benzoic acid, 4-(hydrazinoiminomethyl)-
CAS Number:
87521-81-1
Molecular Formula:
C8H9N3O2
Molecular Weight:
179.1760
IUPAC Name:
4-[(aminohydrazinylidene)methyl]benzoic acid
InChI:
InChI=1S/C8H9N3O2/c9-11-10-5-6-1-3-7(4-2-6)8(12)13/h1-5,11H,9H2,(H,12,13)
InChI Key:
JWQZQPQOQYAWTQ-UHFFFAOYSA-N
SMILES:
NNN=Cc1ccc(cc1)C(=O)O
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.069g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
179.179g/mol
Monoisotopic Mass:
179.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
87.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
-0.7
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