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13785-66-5 | Cyclohexanone, 2-(hydroxyamino)-2-methyl-, oxime, acetate (1:1)
CAS No: 13785-66-5 Catalog No: AG0013YI MDL No:MFCD00168347
Product Description
Catalog Number:
AG0013YI
Chemical Name:
Cyclohexanone, 2-(hydroxyamino)-2-methyl-, oxime, acetate (1:1)
CAS Number:
13785-66-5
Molecular Formula:
C9H18N2O4
Molecular Weight:
218.2502
MDL Number:
MFCD00168347
IUPAC Name:
acetic acid;N-[2-(hydroxyamino)-2-methylcyclohexylidene]hydroxylamine
InChI:
InChI=1S/C7H14N2O2.C2H4O2/c1-7(9-11)5-3-2-4-6(7)8-10;1-2(3)4/h9-11H,2-5H2,1H3;1H3,(H,3,4)
InChI Key:
HHQTUSFJTYKFGJ-UHFFFAOYSA-N
SMILES:
CC(=O)O.ON=C1CCCCC1(C)NO
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.127g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
218.253g/mol
Monoisotopic Mass:
218.127g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
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