1,2-Cyclopentanedione

HCID 566657
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Basic information

CAS
3008-40-0
Standard SMILES
O=C1CCCC1=O
InChIKey
CIISBNCSMVCNIP-UHFFFAOYSA-N
Molecular formula
C5H6O2
Average molar mass
98.1 g/mol
Monoisotopic mass
98.03677943

Names & identifiers

Preferred name
1,2-Cyclopentanedione
IUPAC
cyclopentane-1,2-dione

Names & synonyms

1,2-Cyclopentanedionecyclopentane-1,2-dioneMFCD000454461,2-cyclopentadionecyclopentanedioneCyclopentane-1,2-dioncyclopentane-1,2-quinoneSCHEMBL289021SCHEMBL2141103DTXSID60952490AC2232AKOS017344721
Show more names
SY057516DB-092807EN300-41495F512185F8885-0660

Database identifiers

CAS
3008-40-0
PubChem CID
566657
DTXSID
DTXSID60952490
Nikkaji
J80.614E

Properties

Computed structural properties

XLogP
-0.4
Topological polar surface area
34.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
7

Experimental & physicochemical properties

Kovats Retention Index1741.6

Related reactions

10 records
New reaction record

Compound notes

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