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25065-14-9 | Benzoic acid, 4-hydroxy-3-[1-(hydroxyimino)ethyl]-
CAS No: 25065-14-9 Catalog No: AG002QC7 MDL No:
Product Description
Catalog Number:
AG002QC7
Chemical Name:
Benzoic acid, 4-hydroxy-3-[1-(hydroxyimino)ethyl]-
CAS Number:
25065-14-9
Molecular Formula:
C9H9NO4
Molecular Weight:
195.1721
IUPAC Name:
4-hydroxy-3-(N-hydroxy-C-methylcarbonimidoyl)benzoic acid
InChI:
InChI=1S/C9H9NO4/c1-5(10-14)7-4-6(9(12)13)2-3-8(7)11/h2-4,11,14H,1H3,(H,12,13)
InChI Key:
WAEPYQGTNJFGRI-UHFFFAOYSA-N
SMILES:
ON=C(c1cc(ccc1O)C(=O)O)C
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.053g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
195.174g/mol
Monoisotopic Mass:
195.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
90.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1
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