Basic information
- CAS
67772-13-8- Standard SMILES
O=C(O)CC1C(=O)CCCC1=O- InChIKey
WPIPJPZTGUKJBA-UHFFFAOYSA-N- Molecular formula
- C8H10O4
- Average molar mass
- 170.16 g/mol
- Monoisotopic mass
- 170.0579088
Names & identifiers
- Preferred name
- (2,6-Dioxocyclohexyl)acetic acid
- IUPAC
- 2-(2,6-dioxocyclohexyl)acetic acid
Names & synonyms
67772-13-8(2,6-dioxocyclohexyl)acetic acidNSC119074DTXSID10987111NSC-119074
Database identifiers
- CAS
67772-13-8- PubChem CID
- 273689
- DTXSID
DTXSID10987111
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 71.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 215
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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