7-Oxocyclohepta-1,3,5-trien-1-YL 2-methylprop-2-enoate
Basic information
- CAS
29832-29-9- Standard SMILES
C=C(C)C(=O)Oc1cccccc1=O- InChIKey
BHKQCZGFIQOMFC-UHFFFAOYSA-N- Molecular formula
- C11H10O3
- Average molar mass
- 190.19 g/mol
- Monoisotopic mass
- 190.06299418
Names & identifiers
- Preferred name
- 7-Oxocyclohepta-1,3,5-trien-1-YL 2-methylprop-2-enoate
- IUPAC
- (7-oxocyclohepta-1,3,5-trien-1-yl) 2-methylprop-2-enoate
Names & synonyms
29832-29-9532-36-5NSC79554NCIOpen2_000946DTXSID601839647-OXOCYCLOHEPTA-1,3,5-TRIEN-1-YL 2-METHYLPROP-2-ENOATENSC83678NSC-79554NSC-83678WLN: /L7VJ BOVX*1&1*/7-oxo-1,3,5-cycloheptatrien-1-yl 2-methyl-2-propenoate
Database identifiers
- CAS
29832-29-9、532-36-5- PubChem CID
- 207386
- DTXSID
DTXSID60183964- Nikkaji
- J638.134K
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 370
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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