1-Cyclopropylbutan-1-one

CAT: 0926-GAA70546-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-GAA70546-01Size:100 mg

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CAS Number

6705-46-0

MDL Number

MFCD12153379

Smiles

CCCC (=O) C1CC1

Molecular Formula

C7H12O

Molecular Weight

112.17 g/mol

Controlled

Chemical Information

1-Cyclopropylbutan-1-one

CAS Number	6705-46-0
PubChem CID	263639
IUPAC Name	1-cyclopropylbutan-1-one
Molecular Formula	C7H12O
Molecular Weight	112.17
XLogP	1.2
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Heavy Atom Count	8
Formal Charge	0
Complexity	92

SMILES

CCCC(=O)C1CC1

InChI

InChI=1S/C7H12O/c1-2-3-7(8)6-4-5-6/h6H,2-5H2,1H3

InChIKey

BQZDDAHAABBWRC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6705-46-0

CID: 263639

Formula: C7H12O

MW: 112.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	112.17
XLogP3	1.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	112.088815002
Monoisotopic Mass	112.088815002
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	92.6
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
CAA04623-01	4-Cyclopropylbutan-2-one
TSC59941-01	1-Amino-4-cyclopropylbutan-2-ol
PED67243-01	2-Cyclopropylbutan-2-amine hydrochloride
SLD11633-01	1-[ (tert-Butyldimethylsilyl) oxy]-1-cyclopropylbut-3-en-2-one
MKD75489-01	4-Cyclopropylbutane-1-sulfonamide
XLD14786-01	4-Cyclopropylbutane-1-thiol
MKD62589-01	4-Cyclopropylbutane-1-sulfonyl chloride
PDA93242-01	1-Cycloheptylpropan-1-one
BAA46227-01	1-Cyclohexylbutan-1-one
GAA71348-01	1-Cycloheptylethan-1-one