Completing data — usually done within a minute
Basic information
- CAS
692-91-1- Standard SMILES
COC(=O)C=CC=CC(=O)OC- InChIKey
PXYBXMZVYNWQAM-UHFFFAOYSA-N- Molecular formula
- C8H10O4
- Average molar mass
- 170.16 g/mol
- Monoisotopic mass
- 170.0579088
Names & identifiers
- Preferred name
- Dimethyl hexa-2,4-dienedioate
- IUPAC
- dimethyl hexa-2,4-dienedioate
Names & synonyms
dimethyl hexa-2,4-dienedioateNCIOpen2_001759dimethyl hex-2,4-diendioateSCHEMBL2944118DTXSID10988906PXYBXMZVYNWQAM-UHFFFAOYSA-NBAA11943hexa-2,4-dienedioic acid dimethyl ester
Database identifiers
- CAS
692-91-1- PubChem CID
- 265103
- DTXSID
DTXSID10988906
Properties
Computed structural propertiesFilling in
- XLogP
- 0.9
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 191
Related reactions
1 records
Compound notes
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