2-Acetylcyclopentanone

CAT: 0024-sc-223383ASize: 25 gDry Ice: NoHazardous: No

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CAT#:0024-sc-223383ASize:25 g

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CAS Number

1670-46-8

Chemical Information

2-Acetylcyclopentanone

an enolate-forming compound that is protective against electrophilic drugs; structure in first source

CAS Number	1670-46-8
PubChem CID	98471
IUPAC Name	2-acetylcyclopentan-1-one
Molecular Formula	C7H10O2
Molecular Weight	126.15
XLogP	0.3
Topological Polar Surface Area	34.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	9
Formal Charge	0
Complexity	149

SMILES

CC(=O)C1CCCC1=O

InChI

InChI=1S/C7H10O2/c1-5(8)6-3-2-4-7(6)9/h6H,2-4H2,1H3

InChIKey

OSWDNIFICGLKEE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1670-46-8

CID: 98471

Formula: C7H10O2

MW: 126.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	126.15
XLogP3	0.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	126.068079557
Monoisotopic Mass	126.068079557
Topological Polar Surface Area	34.1 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	149
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-209283	2,2,2-Trifluoroethyl 2,5-Bis (2,2,2-trifluoroethoxy) benzoate
sc-209282	2,2,2-Trifluoroethyl 2-Hydroxy-5- (2,2,2-trifluoroethoxy) benzoate
sc-343301A	2,2,2-trifluoroethyl 2-fluorophenylcarbamate
sc-320473	2- (2,2,2-trifluoroethoxy) benzaldehyde
sc-343303A	2,2,2-trifluoroethyl 2-methoxyphenylcarbamate
sc-356285	2- (2,2,2-Trifluoroethoxy) nitrobenzene
sc-475858	2- (2,2,2-Trifluoroethoxy) phenol
sc-474673	2-[2- (2,2,2-Trifluoroethoxy) phenoxy]-ethanol
sc-506736	2'-Amino-2,2,2-trifluoroacetophenone
sc-322118A	2'-Methoxy-2,2,2-trifluoroacetophenone

Catalog	Name
JH169616	2-Acetylcyclopentanone
A07985-01	2-Acetylcyclopentanone 98%
PC1003049-01	2,2,2-Trifluoroethyl 2,2,2-trichloroacetate
H 038-001	2'- , 2''-, 2''', 2'''', 2''''', 2''''''- Hexadeoxy- 2'-, 2'', 2''', 2'''', 2''''', 2''''''- hexafluoro- cyclic hexaadenosine monophosphate (2',2'',2''',2'''',2''''',2''''''-Hexa-F-c-hexadAMP / cFA6), sodium salt
PC32719-01	2,2,2,2'-Tetrafluoroacetophenone
OR1009873-01	2,2,2,2-Ethylenedinitrilotetraethanol
290342-01	2,2,2-Trifluoroethyl 2,5-bis (2,2,2-trifluoroethoxy) benzoate
TRC-T790240-50MG	2,2,2-Trifluoroethyl 2-Hydroxy-5-(2,2,2-trifluoroethoxy)benzoate
TRC-T790200-100MG	2,2,2-Trifluoroethyl 2,5-Bis(2,2,2-trifluoroethoxy)benzoate
290343-01	2,2,2-Trifluoroethyl 2-hydroxy-5- (2,2,2-trifluoroethoxy) benzoate