3-(2,3-Dihydro-3-methyl-2-oxo-6-benzoxazolyl)-2-propenoic acid
Basic information
- CAS
74023-34-0- Standard SMILES
Cn1c(=O)oc2cc(C=CC(=O)O)ccc21- InChIKey
PFNKMZSAKPZGGB-UHFFFAOYSA-N- Molecular formula
- C11H9NO4
- Average molar mass
- 219.19 g/mol
- Monoisotopic mass
- 219.05315777
Names & identifiers
- Preferred name
- 3-(2,3-Dihydro-3-methyl-2-oxo-6-benzoxazolyl)-2-propenoic acid
- IUPAC
- 3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)prop-2-enoic acid
Names & synonyms
DTXSID5011789643-(2,3-Dihydro-3-methyl-2-oxo-6-benzoxazolyl)-2-propenoic acid3-(3-Methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)prop-2-enoic acid74023-34-0
Database identifiers
- CAS
74023-34-0- PubChem CID
- 73841024
- DTXSID
DTXSID501178964
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 339
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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