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825-52-5 | N-Hydroxybenzimidoyl cyanide
CAS No: 825-52-5 Catalog No: AG003HFM MDL No:MFCD00035803
Product Description
Catalog Number:
AG003HFM
Chemical Name:
N-Hydroxybenzimidoyl cyanide
CAS Number:
825-52-5
Molecular Formula:
C8H6N2O
Molecular Weight:
146.1460
MDL Number:
MFCD00035803
IUPAC Name:
(2E)-2-hydroxyimino-2-phenylacetonitrile
InChI:
InChI=1S/C8H6N2O/c9-6-8(10-11)7-4-2-1-3-5-7/h1-5,11H/b10-8-
InChI Key:
MJCQFBKIFDVTTR-NTMALXAHSA-N
SMILES:
O/N=C(\c1ccccc1)/C#N
EC Number:
212-546-9
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
146.048g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
146.149g/mol
Monoisotopic Mass:
146.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
56.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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