2-methoxycyclohexan-1-one

CAT: 0024-sc-342954Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-342954Size:250 mg

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CAS Number

87938-34-9

Chemical Information

2-Methoxycyclohexanone

structure in first source

CAS Number	87938-34-9
PubChem CID	110998
IUPAC Name	2-methoxycyclohexan-1-one
Molecular Formula	C7H12O2
Molecular Weight	128.17
XLogP	0.7
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	9
Formal Charge	0
Complexity	109

SMILES

COC1CCCCC1=O

InChI

InChI=1S/C7H12O2/c1-9-7-5-3-2-4-6(7)8/h7H,2-5H2,1H3

InChIKey

JYJURPHZXCLFDX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 87938-34-9

CID: 110998

Formula: C7H12O2

MW: 128.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	128.17
XLogP3	0.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	128.083729621
Monoisotopic Mass	128.083729621
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	109
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
CAA97924	2-Methoxycyclohexan-1-ol, iastereomers
PDA79453	3-methoxycyclohexan-1-ol
LWC21549-01	1- (3-Hydroxypropyl) -2-methoxycyclohexan-1-ol
OR1074348-01	(1S,2S) -2-Methoxycyclohexan-1-amine hydrochloride
FAA46027	4-Methoxycyclohexan-1-amine hydrochloride
OR54676-01	Trans-4-Methoxycyclohexan-1-amine
SZC35834-01	Rac- (1R,2R) -N-Butyl-2-methoxycyclohexan-1-amine
OR1054972-01	(1S,3R) -3-Methoxycyclohexan-1-amine hydrochloride
OR1042130-01	Rel- (1R,3S) -3-Methoxycyclohexan-1-amine hydrochloride
BAA19214-01	2,2-Dimethylcyclobutan-1-one