2-Acetylcyclopentanone

Compound Structure:

Synonyms:

2-Acetylcyclopentanone;1670-46-8;2-Acetylcyclopentan-1-one;Cyclopentanone, 2-acetyl-;alpha-Acetylcyclopentanone;Acetylcyclopentanone;MFCD00001413;o-Acetylcyclopentanone

Compound ID:

NMPC-214

PubChem ID:

98471

Molecular Formula:

C7H10O2

Canonical SMILES:

CC(=O)C1CCCC1=O

InChIKey:

OSWDNIFICGLKEE-UHFFFAOYSA-N

About the compound:

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

Properties:

Chemical and Physical Properties

Property Name	Property Value
Molecular Weight	126.15 g/mol
XLogP3-AA	0.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	126.068079557 g/mol
Monoisotopic Mass	126.068079557 g/mol
Topological Polar Surface Area	34.1Å²
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

Source: PubChem

Source Species:

Monodora myristica

Download SDF