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1315340-59-0 | Benzoic acid, 4-[(Z)-amino(hydroxyimino)methyl]-, methyl ester
CAS No: 1315340-59-0 Catalog No: AG000ZDG MDL No:MFCD06797503
Product Description
Catalog Number:
AG000ZDG
Chemical Name:
Benzoic acid, 4-[(Z)-amino(hydroxyimino)methyl]-, methyl ester
CAS Number:
1315340-59-0
Molecular Formula:
C9H10N2O3
Molecular Weight:
194.1873
MDL Number:
MFCD06797503
IUPAC Name:
methyl 4-[(E)-N'-hydroxycarbamimidoyl]benzoate
InChI:
InChI=1S/C9H10N2O3/c1-14-9(12)7-4-2-6(3-5-7)8(10)11-13/h2-5,13H,1H3,(H2,10,11)
InChI Key:
IGHWNCLZGNNKBN-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)/C(=N/O)/N
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
194.069g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
194.19g/mol
Monoisotopic Mass:
194.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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