3-Methylcyclobutan-1-one

CAT: 0926-BAA19208-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-BAA19208-01Size:50 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1192-08-1

MDL Number

MFCD17215903

Smiles

CC1CC (=O) C1

Molecular Formula

C5H8O

Molecular Weight

84.12 g/mol

Controlled

Chemical Information

3-Methylcyclobutan-1-one

CAS Number	1192-08-1
PubChem CID	12599352
IUPAC Name	3-methylcyclobutan-1-one
Molecular Formula	C5H8O
Molecular Weight	84.12
XLogP	0.5
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	6
Formal Charge	0
Complexity	68

SMILES

CC1CC(=O)C1

InChI

InChI=1S/C5H8O/c1-4-2-5(6)3-4/h4H,2-3H2,1H3

InChIKey

JOAKNMHVZBHWFI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1192-08-1

CID: 12599352

Formula: C5H8O

MW: 84.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	84.12
XLogP3	0.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	84.057514874
Monoisotopic Mass	84.057514874
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	68
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
YKC61799-01	1- (Boc-amino) -1-methylcyclobutan-3-one
CHC37946-01	2,2-Diethyl-3-methoxy-4-methylcyclobutan-1-one
TTB95155-01	Cis-3-Methylcyclobutan-1-amine hydrochloride
DGC76664-01	3-amino-3-methylcyclobutan-1-ol hydrochloride
NQC76885-01	3-Fluoro-3-methylcyclobutan-1-amine hydrochloride
APD13686-01	3-Ethyl-3-methylcyclobutan-1-amine hydrochloride
GWC12254-01	3-Fluoro-1-methylcyclobutan-1-amine hydrochloride
DXC59022-01	3-Ethoxy-N-methylcyclobutan-1-amine hydrochloride
DGC76699-01	Trans-3-Amino-3-methylcyclobutan-1-ol HCl
YKC57103-01	Trans-3-Hydroxy-3-methylcyclobutan-1-amine HCl

Catalog	Name
OR304365-01	3-Methylcyclobutan-1-one
OR1005095	2-Methylcyclobutan-1-one
OR304350	3-Amino-3-methylcyclobutan-1-one hydrochloride
OR968322-01	3-Amino-1-methylcyclobutan-1-ol
OR76232-01	1-Methylcyclobutan-1-ol
OR304367	Cis-3-Methylcyclobutan-1-amine hydrochloride
PC411281	3-Fluoro-1-methylcyclobutan-1-amine hydrochloride
PC905939-01	3-Fluoro-3-methylcyclobutan-1-amine hydrochloride
OR948465-01	1-Methylcyclobutan-1-amine hydrochloride
PC1001950-01	Trans-3-fluoro-3-methylcyclobutan-1-amine hydrochloride