ethyl 4-acetyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate

HCID 13425083
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Basic information

Standard SMILES
CCOC(=O)C1CN(C(C)=O)c2ccccc2O1
InChIKey
IHSDNKASIZBOCZ-UHFFFAOYSA-N
Molecular formula
C13H15NO4
Average molar mass
249.26 g/mol
Monoisotopic mass
249.10010796

Names & identifiers

Preferred name
ethyl 4-acetyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
IUPAC
ethyl 4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate

Names & synonyms

ethyl 4-acetyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate282520-47-2SCHEMBL6973740IHSDNKASIZBOCZ-UHFFFAOYSA-NDB-319447(+/-)-Ethyl 4-acetyl-3,4-dihydro-2H-benzo[b][1,4]oxazine-2-carboxylate

Database identifiers

PubChem CID
13425083
Nikkaji
J1.650.870E

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
55.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
18

Related reactions

3 records
New reaction record

Compound notes

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