Basic information
- CAS
14277-16-8- Standard SMILES
O=C(O)CCC=CCCC(=O)O- InChIKey
LQVYKEXVMZXOAH-UHFFFAOYSA-N- Molecular formula
- C8H12O4
- Average molar mass
- 172.18 g/mol
- Monoisotopic mass
- 172.07355886
Names & identifiers
- Preferred name
- Oct-4-enedioic acid
- IUPAC
- oct-4-enedioic acid
- English name
- oct-4-enedioic acid
- Molecular formula
- C8H12O4
- Molecular weight
- 172.18
Names & synonyms
Oct-4-enedioic acid14277-16-8EINECS 238-171-0DTXSID50931638RefChem:167538DTXCID201360344238-171-0trans-4-octene-1,8-dioicacid4-octenedioic acidoct-4-ene-1,8-dioic acidSCHEMBL176453SCHEMBL7645691
Show more names
3,3'-Vinylenedipropanoic acid
DB-321313NS00053856
Database identifiers
- CAS
14277-16-8- PubChem CID
- 84313
- DTXSID
DTXSID50931638- EC Number
- 238-171-0
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 163
Physicochemical properties
- Melting point
- 175.5 · 175.5-176.5 °C(Solv: water (7732-18-5))
- Boiling point
- 373.1 · 373.1±30.0 °C(Predicted)
- Density
- 1.2 · 1.200±0.06 g/cm3(Predicted)
- pka
- 4.35 · 4.35±0.10(Predicted)
Chemistry & industry
Suppliers3 total
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
8 records
Compound notes
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