1-Cyclopropyl-propan-2-one

CAT: 0127-OR1042042Size: 1 EachDry Ice: NoHazardous: No

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CAS Number

4160-75-2

MDL Number

MFCD02632334

Purity

=95%

Smiles

CC(=O)CC1CC1

Chemical Information

1-Cyclopropylpropan-2-one

CAS Number	4160-75-2
PubChem CID	537025
IUPAC Name	1-cyclopropylpropan-2-one
Molecular Formula	C6H10O
Molecular Weight	98.14
XLogP	1
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	7
Formal Charge	0
Complexity	82

SMILES

CC(=O)CC1CC1

InChI

InChI=1S/C6H10O/c1-5(7)4-6-2-3-6/h6H,2-4H2,1H3

InChIKey

CTNXHXGIKSAADL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4160-75-2

CID: 537025

Formula: C6H10O

MW: 98.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	98.14
XLogP3	1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	98.073164938
Monoisotopic Mass	98.073164938
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	82.2
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

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OR1102734-01	1- (Ethylsulfonyl) propan-2-one
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OR1064623-01	1- (2-Methoxyphenoxy) propan-2-one
OR23885-01	1- (2-Chlorophenyl) propan-2-one

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YWC67858-01	3-Cyclopropyl-1- (propan-2-yl) -1H-pyrazole
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PTB72236-01	1-Cyclopropyl-2-methanesulfonylethan-1-one
GAA73922-01	2-cyclopropyl-1-phenylethan-1-one
PAA11394-01	1-Cyclopropyl-2-phenylethan-1-one
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