Basic information
- CAS
1221792-76-2- Standard SMILES
COC(=O)c1cc(OC)cc2nc(C)oc12- InChIKey
SXNVRFXHFVPWQM-UHFFFAOYSA-N- Molecular formula
- C11H11NO4
- Average molar mass
- 221.21 g/mol
- Monoisotopic mass
- 221.06880783
Names & identifiers
- Preferred name
- Methyl 5-methoxy-2-methyl-1,3-benzoxazole-7-carboxylate
- IUPAC
- methyl 5-methoxy-2-methyl-1,3-benzoxazole-7-carboxylate
- English name
- Methyl 5-methoxy-2-methyl-1,3-benzoxazole-7-carboxylate
- Molecular formula
- C11H11NO4
- Molecular weight
- 221.21
Names & synonyms
1221792-76-2methyl 5-methoxy-2-methyl-1,3-benzoxazole-7-carboxylatemethyl 5-methoxy-2-methylbenzoxazole-7-carboxylateMethyl 5-methoxy-2-methylbenzo[d]oxazole-7-carboxylateMFCD16140362AC3256SBB096119AKOS005072302CE-0024SY058992DB-188112CS-0318696
Show more names
7-Benzoxazolecarboxylic acid, 5-methoxy-2-methyl-, methyl ester
F722535Methyl5-methoxy-2-methylbenzo[d]oxazole-7-carboxylate
Database identifiers
- CAS
1221792-76-2- PubChem CID
- 50853257
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 61.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 271
Physicochemical properties
- Melting point
- 119 · 119~121℃
- Boiling point
- 333.8 · 333.8±22.0 °C(Predicted)
- Density
- 1.244 · 1.244±0.06 g/cm3(Predicted)
- pka
- 1.87 · 1.87±0.30(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HazardClass
- IRRITANT
- 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_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers11 total
韶远科技（上海）有限公司4000665055 · [email protected]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
成都麦卡希化工有限公司028-85632863 18108198598 · [email protected]
台州南峰药物研究所[email protected] 13127117265 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
Accela ChemBio Inc.+1-858-6993322 +86-18019713315 · [email protected]
上海鼓臣生物技术有限公司021-34675735 19147740836 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…