Basic information
- CAS
64037-28-1- Standard SMILES
CCOC(=O)CCn1c(=N)oc2ccccc21- InChIKey
CEZZCJWBLHCTMD-UHFFFAOYSA-N- Molecular formula
- C12H14N2O3
- Average molar mass
- 234.25 g/mol
- Monoisotopic mass
- 234.10044231
Names & identifiers
- Preferred name
- Benzoxazoline, 3-(2-(ethoxycarbonyl)ethyl)-2-imino-
- IUPAC
- ethyl 3-(2-imino-1,3-benzoxazol-3-yl)propanoate
Names & synonyms
64037-28-1BENZOXAZOLINE, 3-(2-(ETHOXYCARBONYL)ETHYL)-2-IMINO-RefChem:10793763(2H)-Benzoxazolepropanoic acid, 2-imino-, ethyl esterBRN 0664667DTXSID30982007Ethyl 3-(2-imino-1,3-benzoxazol-3(2H)-yl)propanoate
Database identifiers
- CAS
64037-28-1- PubChem CID
- 46402
- DTXSID
DTXSID30982007- Nikkaji
- J67.924K
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 306
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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