Basic information
- CAS
104662-85-3- Standard SMILES
COC(=O)CC1Oc2ccc(C)cc2NC1=O- InChIKey
GSPIARUBRADJEA-UHFFFAOYSA-N- Molecular formula
- C12H13NO4
- Average molar mass
- 235.24 g/mol
- Monoisotopic mass
- 235.0844579
Names & identifiers
- Preferred name
- Methyl (6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetate
- IUPAC
- methyl 2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetate
- English name
- Methyl(6-methyl-2H-1,4-benzoxazin-3(4H)-one-2-yl)acetate
- Molecular formula
- C12H13NO4
- Molecular weight
- 235.24
Names & synonyms
104662-85-3Methyl (6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetateDTXSID90403223RefChem:353119DTXCID20354077methyl 2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetate2H-1,4-Benzoxazine-2-aceticacid, 3,4-dihydro-6-methyl-3-oxo-, methyl esterMethyl 2-(6-methyl-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazin-2-yl)acetatemethyl 2-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetateSMR000096587ChemDiv2_007492Methyl 2-(3,4-dihydro-6-methyl-3-oxo-2H-benzo[b][1,4]oxazin-2-yl)acetate
Show more names
Methyl(6-methyl-2H-1,4-benzoxazin-3(4H)-one-2-yl)acetate2H-1,4-Benzoxazine-2-acetic acid, 3,4-dihydro-6-methyl-3-oxo-, methyl esterJRH-06402, Methyl 2-(3,4-dihydro-6-methyl-3-oxo-2H-benzo[b][1,4]oxazin-2-yl)acetate, 97%
MLS000119666CHEMBL1574058HMS1390E12HMS2262M22HMS3446O05MFCD03427108AKOS015969334IDI1_006207
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 318
Physicochemical properties
- Melting point
- 163 · 163-167 °C(lit.)
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers4 total
山东小野化学股份有限公司0539-6362799 20）
Alchem Pharmtech,Inc.8485655694 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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