Dimethyl cinnamylidenemalonate
Basic information
- CAS
37755-22-9- Standard SMILES
COC(=O)C(=C/C=C/c1ccccc1)C(=O)OC- InChIKey
QKATZXQTAXGSBB-RMKNXTFCSA-N- Molecular formula
- C14H14O4
- Average molar mass
- 246.26 g/mol
- Monoisotopic mass
- 246.08920892
Names & identifiers
- Preferred name
- Dimethyl cinnamylidenemalonate
- IUPAC
- dimethyl 2-[(E)-3-phenylprop-2-enylidene]propanedioate
Names & synonyms
Dimethyl cinnamylidenemalonate37755-22-9EINECS 253-653-0RefChem:338676253-653-0Dimethyl 2-(3-phenylallylidene)malonate1,3-Dimethyl 2-(3-phenyl-2-propen-1-ylidene)propanedioatedimethyl 2-[(E)-3-phenylprop-2-enylidene]propanedioateSCHEMBL11231490HMS1620M19STK723414AKOS001700280
Show more names
NCGC00322426-01AB01317549-02dimethyl (3-phenyl-2-propen-1-ylidene)malonatedimethyl 2-[(2E)-3-phenyl-2-propenylidene]malonatedimethyl [(2E)-3-phenylprop-2-en-1-ylidene]propanedioatepropanedioic acid, 2-[3-phenyl-2-propen-1-ylidene]-, dimethyl ester
Database identifiers
- CAS
37755-22-9- PubChem CID
- 689852
- EC Number
- 253-653-0
- Nikkaji
- J2.646.891D、J261.242I
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 331
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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