2H-1,4-Benzoxazine-6-acetic acid, 3-(4-methoxyphenyl)-2-oxo-, methyl ester
Basic information
- CAS
78587-65-2- Standard SMILES
COC(=O)Cc1ccc2oc(=O)c(-c3ccc(OC)cc3)nc2c1- InChIKey
VNIIOSKMQUJBKT-UHFFFAOYSA-N- Molecular formula
- C18H15NO5
- Average molar mass
- 325.3 g/mol
- Monoisotopic mass
- 325.09502258
Names & identifiers
- Preferred name
- 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-methoxyphenyl)-2-oxo-, methyl ester
- IUPAC
- methyl 2-[3-(4-methoxyphenyl)-2-oxo-1,4-benzoxazin-6-yl]acetate
Names & synonyms
BRN 45479622H-1,4-BENZOXAZINE-6-ACETIC ACID, 3-(4-METHOXYPHENYL)-2-OXO-, METHYL ESTER78587-65-2Methyl 3-p-methoxyphenyl-2H-1,4-benzoxazin-2-one-6-acetateDTXSID502291833-(4-Methoxyphenyl)-2-oxo-2H-1,4-benzoxazine-6-acetic acid methyl esterRefChem:268029DTXCID70151674Methyl [3-(4-methoxyphenyl)-2-oxo-2H-1,4-benzoxazin-6-yl]acetate
Database identifiers
- CAS
78587-65-2- PubChem CID
- 54229
- DTXSID
DTXSID50229183
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 74.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 510
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…