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Efficonazole Methyl Alcohol

CAT: 1596-AR-E01142-01Size: 50 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-E01142-01Size:50 Units
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CAS Number
19980-00-8
Synonyms
(4- (hydroxymethyl) piperidin-1-yl) (phenyl) methanone; N-benzoyl-4-hydroxymethylpiperidine; 4-hydroxymethyl-N-benzoylpiperidine; N-benzoyl-4-hydroxymethyl-piperidine; (4-Hydroxymethyl-piperidin-1-yl) -phenyl-methanone
Molecular Formula
C13H17NO2
Molecular Weight
219.28
API Name
Efinaconazole

Chemical Information

4-Piperidinemethanol, 1-benzoyl-
CAS Number19980-00-8
PubChem CID10262870
IUPAC Name[4-(hydroxymethyl)piperidin-1-yl]-phenylmethanone
Molecular FormulaC13H17NO2
Molecular Weight219.28
XLogP1.4
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity228
SMILES
C1CN(CCC1CO)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C13H17NO2/c15-10-11-6-8-14(9-7-11)13(16)12-4-2-1-3-5-12/h1-5,11,15H,6-10H2
InChIKey
RLTIVBMLQJFUOB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Piperidinemethanol, 1-benzoyl-
CAS: 19980-00-8
CID: 10262870
Formula: C13H17NO2
MW: 219.28
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight219.28
XLogP31.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass219.125928785
Monoisotopic Mass219.125928785
Topological Polar Surface Area40.5 Ų
Heavy Atom Count16
Formal Charge0
Complexity228
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