Cycloheptanone oxime

CAT: 0024-sc-353156ASize: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-353156ASize:5 g

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CAS Number

2158-31-8

Chemical Information

Cycloheptanone Oxime

CAS Number	2158-31-8
PubChem CID	137457
IUPAC Name	N-cycloheptylidenehydroxylamine
Molecular Formula	C7H13NO
Molecular Weight	127.18
XLogP	1.7
Topological Polar Surface Area	32.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	9
Formal Charge	0
Complexity	99

SMILES

C1CCCC(=NO)CC1

InChI

InChI=1S/C7H13NO/c9-8-7-5-3-1-2-4-6-7/h9H,1-6H2

InChIKey

OENGSNXUALAIFP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2158-31-8

CID: 137457

Formula: C7H13NO

MW: 127.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	127.18
XLogP3	1.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	127.099714038
Monoisotopic Mass	127.099714038
Topological Polar Surface Area	32.6 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	99.5
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
sc-239607	Cycloheptanone
sc-353160	Cyclohexanone oxime
sc-268817	Cyclopentanone oxime
sc-353160A	Cyclohexanone oxime
sc-396604	2- (Tosyloxy) cycloheptanone
sc-499090	Benzothiophen-10-methoxy-cycloheptanone
sc-299335	4- (tert-Butyl) cyclohexanone oxime
sc-299335A	4- (tert-Butyl) cyclohexanone oxime
sc-304502	2- (1H-Imidazol-1-ylmethyl) cycloheptanone
sc-207633C	Erythromycin Oxime

Catalog	Name
CAA15831	Cycloheptanone Oxime
445281-01	Cycloheptanone
C29900-01	Cycloheptanone 98%
GW7725-1g	2- (Tosyloxy) cycloheptanone
PC405621	(+/-) -2- (Trifluoromethyl) cycloheptanone
TRC-C987217-100MG	Cycloheptanone-2,2,7,7-d4
AR-A05772-01	Aflatoxin B1-oxime (AFB1-oxime)
AR-A05770-01	Aflatoxin M1-oxime (AFM1-oxime)
FD145705-01	Deoxybenzoic oxime
M015-10MG	Milbemycin oxime