Basic information
- CAS
105897-30-1- Standard SMILES
C=C1Oc2cc(OC)cc(C(=O)O)c2NC1=O- InChIKey
INZXOXPPCUXFBP-UHFFFAOYSA-N- Molecular formula
- C11H9NO5
- Average molar mass
- 235.19 g/mol
- Monoisotopic mass
- 235.04807239
Overview
3,4-dihydro-7-methoxy-2-methylene-3-oxo-2H-1,4-benzoxazine-5-carboxylic acid is a monocarboxylic acid and a benzoxazine.
Names & identifiers
- Preferred name
- 3,4-dihydro-7-methoxy-2-methylene-3-oxo-2H-1,4-benzoxazine-5-carboxylic acid
- IUPAC
- 7-methoxy-2-methylidene-3-oxo-4H-1,4-benzoxazine-5-carboxylic acid
- English name
- 2H-1,4-Benzoxazine-5-carboxylic acid, 3,4-dihydro-7-methoxy-2-methylen e-3-oxo-
- Molecular formula
- C11H9NO5
- Molecular weight
- 0
Names & synonyms
105897-30-13,4-Dihydro-7-methoxy-2-methylene-3-oxo-2H-1,4-benzoxazine-5-carboxylic acidDTXSID10147410RefChem:910614DTXCID6069901Benzoxazolinate7-methoxy-2-methylidene-3-oxo-4H-1,4-benzoxazine-5-carboxylic acidAC1NQZAPCHEBI:1374SCHEMBL159890562H-1,4-Benzoxazine-5-carboxylic acid, 3,4-dihydro-7-methoxy-2-methylen e-3-oxo-7-Methoxy-2-methylene-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-5-carboxylic acid
Show more names
7-methoxy-2-methylidene-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-5-carboxylic acidQ271054482H-1,4-Benzoxazine-5-carboxylic acid, 3,4-dihydro-7-methoxy-2-methylene-3-oxo-
Database identifiers
- CAS
105897-30-1- PubChem CID
- 5281925
- DTXSID
DTXSID10147410- ChEBI
CHEBI:1374
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 84.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 367
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Additional notes
DefinitionChEBI: 3,4-dihydro-7-methoxy-2-methylene-3-oxo-2H-1,4-benzoxazine-5-carboxylic acid is a benzoxazine and a monocarboxylic acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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