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82585-33-9 | Ethanone, 2-amino-1-(2,4-dimethylphenyl)-, oxime
CAS No: 82585-33-9 Catalog No: AG005CSE MDL No:
Product Description
Catalog Number:
AG005CSE
Chemical Name:
Ethanone, 2-amino-1-(2,4-dimethylphenyl)-, oxime
CAS Number:
82585-33-9
Molecular Formula:
C10H14N2O
Molecular Weight:
178.2310
IUPAC Name:
N-[2-amino-1-(2,4-dimethylphenyl)ethylidene]hydroxylamine
InChI:
InChI=1S/C10H14N2O/c1-7-3-4-9(8(2)5-7)10(6-11)12-13/h3-5,13H,6,11H2,1-2H3
InChI Key:
DSGZXWPDEMGDPY-UHFFFAOYSA-N
SMILES:
NCC(=NO)c1ccc(cc1C)C
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.111g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
178.235g/mol
Monoisotopic Mass:
178.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.7
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