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199447-10-4 | Benzoic acid, 3-[(hydroxyamino)iminomethyl]-
CAS No: 199447-10-4 Catalog No: AG002C41 MDL No:MFCD02083499
Product Description
Catalog Number:
AG002C41
Chemical Name:
Benzoic acid, 3-[(hydroxyamino)iminomethyl]-
CAS Number:
199447-10-4
Molecular Formula:
C8H8N2O3
Molecular Weight:
180.1607
MDL Number:
MFCD02083499
IUPAC Name:
3-[(Z)-N'-hydroxycarbamimidoyl]benzoic acid
InChI:
InChI=1S/C8H8N2O3/c9-7(10-13)5-2-1-3-6(4-5)8(11)12/h1-4,13H,(H2,9,10)(H,11,12)
InChI Key:
LJCLPFBIVUPTAR-UHFFFAOYSA-N
SMILES:
ONN=Cc1cccc(c1)C(=O)O
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
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:
95.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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