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2-(Dimethylaminomethylene)cyclohexanone

CAT: 0572-TRC-D471510-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D471510-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
6135-19-9
Synonyms
2-[(Dimethylamino)methylene]cyclohexanone
Hazard Statement
No Data Available
Smiles
CN(C)\C=C\1/CCCCC1=O
Molecular Formula
C9H15NO
Molecular Weight
153.22
Shipping Conditions
Room Temperature

Chemical Information

2-[(Dimethylamino)methylene]cyclohexanone
CAS Number6135-19-9
PubChem CID10997241
IUPAC Name(2E)-2-(dimethylaminomethylidene)cyclohexan-1-one
Molecular FormulaC9H15NO
Molecular Weight153.22
XLogP1.3
Topological Polar Surface Area20.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity182
SMILES
CN(C)/C=C/1\CCCCC1=O
InChI
InChI=1S/C9H15NO/c1-10(2)7-8-5-3-4-6-9(8)11/h7H,3-6H2,1-2H3/b8-7+
InChIKey
UQRGFCOZZZCUDG-BQYQJAHWSA-N
Chemical Structure
2D Structure
2D structure of 2-[(Dimethylamino)methylene]cyclohexanone
CAS: 6135-19-9
CID: 10997241
Formula: C9H15NO
MW: 153.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight153.22
XLogP31.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass153.115364102
Monoisotopic Mass153.115364102
Topological Polar Surface Area20.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity182
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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