Basic information
- Standard SMILES
CCC(=O)[O-].Cc1cccc2c1OCCN2- InChIKey
NUHQYWUOLABQTC-UHFFFAOYSA-M- Molecular formula
- C12H16NO3-
- Average molar mass
- 222.26 g/mol
Names & identifiers
- Preferred name
- 3,4-dihydro-8-methyl-2H-1,4-benzoxazine 2-ethyl carboxylate
- IUPAC
- 8-methyl-3,4-dihydro-2H-1,4-benzoxazine;propanoate
Names & synonyms
NUHQYWUOLABQTC-UHFFFAOYSA-M3,4-dihydro-8-methyl-2H-1,4-benzoxazine 2-ethyl carboxylate
Database identifiers
- PubChem CID
- 86664801
Properties
Computed structural properties
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- -1
- Complexity
- 172
Related reactions
1 records
Compound notes
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