Basic information
- CAS
588-62-5- Standard SMILES
O=C([O-])C=Cc1ccccc1.O=C([O-])C=Cc1ccccc1.[Ca+2]- InChIKey
FPCWKNLZGKFYTL-UHFFFAOYSA-L- Molecular formula
- C18H14CaO4
- Average molar mass
- 334.4 g/mol
- Monoisotopic mass
- 334.0517998
Names & identifiers
- Preferred name
- 2-Propenoic acid, 3-phenyl-, calcium salt (2:1)
- IUPAC
- calcium bis(3-phenylprop-2-enoate)
- English name
- Calcium cinnamate
- Molecular formula
- C18H14CaO4
- Molecular weight
- 334.38
Names & synonyms
SCHEMBL122245DTXSID4013626152-Propenoic acid, 3-phenyl-, calcium salt (2:1)Einecs 209-622-9calcium cinnamateCalcium cinnamate USP/EP/BPCalcium (E)-3-phenylprop-2-enoateBis(3-phenylpropenoic acid)calcium salt
Database identifiers
- CAS
588-62-5- PubChem CID
- 101784
- DTXSID
DTXSID401362615
Properties
Computed structural properties
- Topological polar surface area
- 80.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 149
Chemistry & industry
Suppliers6 total
上海仲因实业有限公司2537653158 16621191650 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
爆牛贸易重庆有限公司+86-023-6139-8061 +86-86-13650506873 · [email protected]
DONBOO AMINO ACID COMPANY13063595538 · [email protected]
Dideu Industries Group Limited+86-29-81148696 +86-15129568250 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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