Cyclopropanecarboxylic acid, 1,2-dihydro-2-oxo-3-pyridinyl ester
Basic information
- CAS
71847-92-2- Standard SMILES
O=C(Oc1ccc[nH]c1=O)C1CC1- InChIKey
UORPJQWKOAMNIH-UHFFFAOYSA-N- Molecular formula
- C9H9NO3
- Average molar mass
- 179.17 g/mol
- Monoisotopic mass
- 179.05824315
Names & identifiers
- Preferred name
- Cyclopropanecarboxylic acid, 1,2-dihydro-2-oxo-3-pyridinyl ester
- IUPAC
- (2-oxo-1H-pyridin-3-yl) cyclopropanecarboxylate
Names & synonyms
MLS003115524Cyclopropanecarboxylic acid, 1,2-dihydro-2-oxo-3-pyridinyl ester71847-92-2(2-oxo-1H-pyridin-3-yl) cyclopropanecarboxylateNSC2812582-oxo-1,2-dihydropyridin-3-yl cyclopropanecarboxylateCHEMBL2140638DTXSID70314207NSC-281258SMR001831099DS-010739Cyclopropanecarboxylic acid,2-dihydro-2-oxo-3-pyridinyl ester
Database identifiers
- CAS
71847-92-2- PubChem CID
- 322882
- DTXSID
DTXSID70314207- ChEMBL
CHEMBL2140638
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 313
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…