Basic information
- Standard SMILES
CC1CC1c1nc2c(C(=O)O)cccc2o1- InChIKey
ZUTWAKRGGNPQEB-UHFFFAOYSA-N- Molecular formula
- C12H11NO3
- Average molar mass
- 217.22 g/mol
- Monoisotopic mass
- 217.07389321
Names & identifiers
- Preferred name
- 2-(2-Methylcyclopropyl)benzoxazole-4-carboxylic acid
- IUPAC
- 2-(2-methylcyclopropyl)-1,3-benzoxazole-4-carboxylic acid
Names & synonyms
2-(2-methylcyclopropyl)benzoxazole-4-carboxylic acidSCHEMBL4315550ZUTWAKRGGNPQEB-UHFFFAOYSA-NAKOS019918863
Database identifiers
- PubChem CID
- 68999969
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 307
Related reactions
2 records
Compound notes
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