Vinyl hydrogen adipate
Basic information
- CAS
5238-38-0- Standard SMILES
C=COC(=O)CCCCC(=O)O- InChIKey
PRQREXSTQVWUGV-UHFFFAOYSA-N- Molecular formula
- C8H12O4
- Average molar mass
- 172.18 g/mol
- Monoisotopic mass
- 172.07355886
Names & identifiers
- Preferred name
- Vinyl hydrogen adipate
- IUPAC
- 6-ethenoxy-6-oxohexanoic acid
- English name
- vinyl hydrogen adipate
- Molecular formula
- C8H12O4
- Molecular weight
- 172.17848
Names & synonyms
Vinyl hydrogen adipate5238-38-0EINECS 226-036-91-Ethenyl hexanedioate6-(ETHENYLOXY)-6-OXOHEXANOIC ACIDSCHEMBL133533DTXSID70200398PRQREXSTQVWUGV-UHFFFAOYSA-NNS00032498Adipic acid 1-vinyl ester6-ethenoxy-6-oxohexanoic acidHexanedioic acid 1-vinyl ester
Show more names
Hexanedioic acid, 1-ethenyl esterHexanedioic acid hydrogen 1-ethenyl ester
Database identifiers
- CAS
5238-38-0- PubChem CID
- 78900
- DTXSID
DTXSID70200398- EC Number
- 226-036-9
- Nikkaji
- J297.952G
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 174
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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