Basic information
- CAS
198135-28-3- Standard SMILES
CCOC(=O)c1noc(C)c1C(=O)OC- InChIKey
HSIQYPVEKFLRCQ-UHFFFAOYSA-N- Molecular formula
- C9H11NO5
- Average molar mass
- 213.19 g/mol
- Monoisotopic mass
- 213.06372245
Names & identifiers
- Preferred name
- 3,4-Isoxazoledicarboxylic acid, 5-methyl-, 3-ethyl 4-methyl ester
- IUPAC
- 3-O-ethyl 4-O-methyl 5-methyl-1,2-oxazole-3,4-dicarboxylate
- English name
- Ethyl-methyl-5-methyl-3,4-isoxazole dicarboxylate
- Molecular formula
- C9H11NO5
- Molecular weight
- 213.19
Names & synonyms
198135-28-33,4-Isoxazoledicarboxylic acid, 5-methyl-, 3-ethyl 4-methyl ester3-Ethyl 4-methyl 5-methylisoxazole-3,4-dicarboxylate3-O-ethyl 4-O-methyl 5-methyl-1,2-oxazole-3,4-dicarboxylate3-ethyl 4-methyl 5-methyl-1,2-oxazole-3,4-dicarboxylateDTXSID60416047InChI=1/C9H11NO5/c1-4-14-9(12)7-6(8(11)13-3)5(2)15-10-7/h4H2,1-3HEthyl-methyl-5-methyl-3,4-isoxazole dicarboxylate
Database identifiers
- CAS
198135-28-3- PubChem CID
- 5325762
- DTXSID
DTXSID60416047- Nikkaji
- J897.913H
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 78.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 255
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers2 total
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
上海寰川实业有限公司021-61478794 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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