Basic information
- CAS
866038-49-5- Standard SMILES
COC(=O)Cc1ccc2c(c1)NC(=O)CO2- InChIKey
BSLHZQGTOQQCMK-UHFFFAOYSA-N- Molecular formula
- C11H11NO4
- Average molar mass
- 221.21 g/mol
- Monoisotopic mass
- 221.06880783
Names & identifiers
- Preferred name
- Methyl 2-(3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazin-6-yl)acetate
- IUPAC
- methyl 2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetate
- English name
- Methyl 2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)acetate
- Molecular formula
- C11H11NO4
- Molecular weight
- 221.21
Names & synonyms
866038-49-5Methyl 2-(3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazin-6-yl)acetateMethyl 2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)acetateMFCD04125579methyl 2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetatemethyl 2-(3-oxo-3,4-dihydro-2H-1,4- benzoxazin-6-yl)acetateMethyl (3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)acetateBionet2_001534Methyl (3,4-dihydro-3-oxo-2H-1,4-benzoxazin-6-yl)acetateSCHEMBL3087984DTXSID40396378BSLHZQGTOQQCMK-UHFFFAOYSA-N
Show more names
2H-1,4-Benzoxazine-6-acetic acid, 3,4-dihydro-3-oxo-, methyl ester
HMS1368G15SBB096121AKOS005070640CS-W000712SY239382DB-351767F309454X-0904
Database identifiers
- CAS
866038-49-5- PubChem CID
- 3785484
- DTXSID
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 292
Physicochemical properties
- Melting point
- 128 · 128~130℃
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332
- Precautionary statements
- 271 · P271-P280
- 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.
Safety data
- hs_code
- 2934999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302+H312+H332
- Precautionary statements
- P271-P280
Chemistry & industry
Suppliers13 total
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
上海旭晗化学科技有限公司15921303235 · [email protected]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
北京建强伟业科技有限公司（FUSION弗珍试剂品牌）0531-88924771 15614660963 · [email protected]
长沙博诺新材料科技有限公司18191076804 · [email protected]
成都沸柏医药科技有限公司028-84641798 18782128315 · [email protected]
西安敏则医药科技有限公司13981836672 · [email protected]
江西元兴生物医药科技有限公司13642377995 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
上海肯恩化学科技有限公司13701870891; 02152215958 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
Related reactions
3 records
Compound notes
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