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4- (tert-Butyl) cyclohexanone oxime

CAT: 0024-sc-299335ASize: 1 gDry Ice: NoHazardous: No
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CAS Number
4701-98-8

Chemical Information

4-(Tert-butyl)cyclohexanone oxime
CAS Number4701-98-8
PubChem CID223594
IUPAC NameN-(4-tert-butylcyclohexylidene)hydroxylamine
Molecular FormulaC10H19NO
Molecular Weight169.26
XLogP2.6
Topological Polar Surface Area32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity169
SMILES
CC(C)(C)C1CCC(=NO)CC1
InChI
InChI=1S/C10H19NO/c1-10(2,3)8-4-6-9(11-12)7-5-8/h8,12H,4-7H2,1-3H3
InChIKey
XIOIFAFSEIOPFO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(Tert-butyl)cyclohexanone oxime
CAS: 4701-98-8
CID: 223594
Formula: C10H19NO
MW: 169.26
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight169.26
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass169.146664230
Monoisotopic Mass169.146664230
Topological Polar Surface Area32.6 Ų
Heavy Atom Count12
Formal Charge0
Complexity169
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes