Methyl 3-oxo-3,4-dihydro-2H-1,4-benzoxazine-8-carboxylate
Basic information
- CAS
149396-34-9- Standard SMILES
COC(=O)c1cccc2c1OCC(=O)N2- InChIKey
NIWLJRLGYZNNLM-UHFFFAOYSA-N- Molecular formula
- C10H9NO4
- Average molar mass
- 207.18 g/mol
- Monoisotopic mass
- 207.05315777
Names & identifiers
- Preferred name
- Methyl 3-oxo-3,4-dihydro-2H-1,4-benzoxazine-8-carboxylate
- IUPAC
- methyl 3-oxo-4H-1,4-benzoxazine-8-carboxylate
- English name
- METHYL 3-OXO-3,4-DIHYDRO-2H-BENZO[B][1,4]OXAZINE-8-CARBOXYLATE
- Molecular formula
- C10H9NO4
- Molecular weight
- 207.18
Names & synonyms
149396-34-9methyl 3-oxo-3,4-dihydro-2H-1,4-benzoxazine-8-carboxylateDTXSID20635878RefChem:355145DTXCID70586629857-327-4METHYL 3-OXO-3,4-DIHYDRO-2H-BENZO[B][1,4]OXAZINE-8-CARBOXYLATEMETHYL 3-OXO-4H-1,4-BENZOXAZINE-8-CARBOXYLATEMFCD029306342H-1,4-BENZOXAZINE-8-CARBOXYLIC ACID, 3,4-DIHYDRO-3-OXO-, METHYL ESTERmethyl 3-oxo-3Oprea1_040525
Show more names
Methyl 3,4-dihydro-3-oxo-2H-1,4-benzoxazine-8-carboxylatemethyl 3,4-dihydro-3-oxo-2H-benzo[b][1,4]oxazine-8-carboxylate
SCHEMBL1340605SCHEMBL29753562NIWLJRLGYZNNLM-UHFFFAOYSA-NZFA39634SBB0938303-oxo-3,4-dihydro-2H-benzo[1,4]oxazine-8-carboxylic acid methyl esterAKOS022189978AS-8374
Database identifiers
- CAS
149396-34-9- PubChem CID
- 23770643
- DTXSID
DTXSID20635878- EC Number
- 857-327-4
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 279
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- Appearance
- Off-white to light brown Solid
- InChI
- InChI=1S/C10H9NO4/c1-14-10(13)6-3-2-4-7-9(6)15-5-8(12)11-7/h2-4H,5H2,1H3,(H,11,12)
- InChIKey
- NIWLJRLGYZNNLM-UHFFFAOYSA-N
- SMILES
- O1C2=C(C(OC)=O)C=CC=C2NC(=O)C1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2934999090 · 2934999090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2934999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Suppliers
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Related reactions
8 records
Compound notes
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