1-Nitromethyl-1-cyclohexanol

CAT: 0127-OR1043747-01Size: 10 gDry Ice: NoHazardous: No

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CAT#:0127-OR1043747-01Size:10 g

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CAS Number

3164-73-6

Purity

98%

Chemical Information

1-(Nitromethyl)cyclohexanol

CAS Number	3164-73-6
PubChem CID	137845
IUPAC Name	1-(nitromethyl)cyclohexan-1-ol
Molecular Formula	C7H13NO3
Molecular Weight	159.18
XLogP	1.5
Topological Polar Surface Area	66.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	146

SMILES

C1CCC(CC1)(C[N+](=O)[O-])O

InChI

InChI=1S/C7H13NO3/c9-7(6-8(10)11)4-2-1-3-5-7/h9H,1-6H2

InChIKey

WYXVEDWVPJRBJM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3164-73-6

CID: 137845

Formula: C7H13NO3

MW: 159.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	159.18
XLogP3	1.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	159.08954328
Monoisotopic Mass	159.08954328
Topological Polar Surface Area	66.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	146
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR24507	1- (Nitromethyl) cyclohex-1-ene
OR53075	1-Methyl-3-nitromethyl benzene
PC53320	1-fluoro-3- (nitromethyl) benzene
OR53076	1-methoxy-3- (nitromethyl) benzene
OR1005940	1-Vinyl cyclohexanol
OR1081852-01	1- (cyclopropylethynyl) cyclohexanol
OR1065468-01	1- (Aminomethyl) cyclohexanol
OR54389	1-Chloro-2- (nitromethyl) benzene
OR350158-01	1-Ethynyl-1-cyclohexanol
OR480613-01	(Nitromethyl) benzene

Catalog	Name
Fr14111	1-Cyclohexanol
sc-507227	1- (Nitromethyl) cyclohex-1-ene
sc-264512	1- (1-Propynyl) cyclohexanol
E16480-01	1-Ethynyl-1-cyclohexanol
HY-Y1217S1-01	1-Cyclohexanol-d11
sc-222745	1-Vinyl cyclohexanol
HY-Y1217S-01	1-Cyclohexanol-d12
EAA00072	1- (Aminomethyl) cyclohexanol
HY-Y1217R-01	1-Cyclohexanol (Standard)
sc-222661	1-Aminomethyl-1-cyclohexanol hydrochloride