Pinacolone oxime

CAT: 0024-sc-228950Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-228950Size:1 g

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CAS Number

2475-93-6

Chemical Information

Pinacolone oxime

CAS Number	2475-93-6
PubChem CID	9561079
IUPAC Name	(NE)-N-(3,3-dimethylbutan-2-ylidene)hydroxylamine
Molecular Formula	C6H13NO
Molecular Weight	115.17
XLogP	1.6
Topological Polar Surface Area	32.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	8
Formal Charge	0
Complexity	99

SMILES

C/C(=N\O)/C(C)(C)C

InChI

InChI=1S/C6H13NO/c1-5(7-8)6(2,3)4/h8H,1-4H3/b7-5+

InChIKey

UNSDDJQNHCSVSW-FNORWQNLSA-N

Chemical Structure

2D Structure

CAS: 2475-93-6

CID: 9561079

Formula: C6H13NO

MW: 115.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	115.17
XLogP3	1.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	115.099714038
Monoisotopic Mass	115.099714038
Topological Polar Surface Area	32.6 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	99.6
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
P19555	Pinacolone Oxime
462633-01	Pinacolone
TRC-P457802-1MG	Pinacolone-d9
P19520	Pinacolone 96%
AR-P01950-01	Pinacolone-d3
AR-P31678-01	Pinacolone Alcohol
AR-P01952-01	Pinacolone Alcohol-d4
27018355-100g	Pinacolone (3,3-Dimethyl-2-butanone)
AR-A05772-01	Aflatoxin B1-oxime (AFB1-oxime)
AR-A05770-01	Aflatoxin M1-oxime (AFM1-oxime)