Basic information
- CAS
23049-36-7- Standard SMILES
CCOC(=O)Oc1ccc(/C=C/C(=O)O)cc1OC(=O)OCC- InChIKey
TUWHSAQHNDNLDZ-SOFGYWHQSA-N- Molecular formula
- C15H16O8
- Average molar mass
- 324.28 g/mol
- Monoisotopic mass
- 324.08451746
Names & identifiers
- Preferred name
- 2-Propenoic acid, 3-(3,4-bis((ethoxycarbonyl)oxy)phenyl)-, (2E)-
- IUPAC
- (E)-3-[3,4-bis(ethoxycarbonyloxy)phenyl]prop-2-enoic acid
Names & synonyms
QLP93C3Y3SUNII-QLP93C3Y3S2-Propenoic acid, 3-(3,4-bis((ethoxycarbonyl)oxy)phenyl)-2-Propenoic acid, 3-(3,4-bis((ethoxycarbonyl)oxy)phenyl)-, (2E)-3-(3,4-Bis((ethoxycarbonyl)oxy)phenyl)-2-propenoic acid, (2E)-23049-36-72-Propenoic acid, 3-[3,4-bis[(ethoxycarbonyl)oxy]phenyl]-2-Propenoic acid, 3-[3,4-bis[(ethoxycarbonyl)oxy]phenyl]-, (2E)-3-[3,4-Bis[(ethoxycarbonyl)oxy]phenyl]-2-propenoic acid, (2E)-62430-37-9(2E)-3-[3,4-Bis[(ethoxycarbonyl)oxy]phenyl]-2-propenoic acid
Database identifiers
- CAS
23049-36-7- PubChem CID
- 92016004
- UNII
- QLP93C3Y3S
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 445
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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