Basic information
- CAS
5527-76-4- Standard SMILES
CCOC(=O)c1cc(=O)c2c(OC)cccc2o1- InChIKey
OJRFUZPONYSMKF-UHFFFAOYSA-N- Molecular formula
- C13H12O5
- Average molar mass
- 248.23 g/mol
- Monoisotopic mass
- 248.06847348
Names & identifiers
- Preferred name
- 4H-1-Benzopyran-2-carboxylic acid, 5-methoxy-4-oxo-, ethyl ester
- IUPAC
- ethyl 5-methoxy-4-oxochromene-2-carboxylate
- English name
- ETHYL 5-METHOXY-4-OXO-1,4-DIHYDRONAPHTHALENE-2-CARBOXYLATE
- Molecular formula
- C13H12O5
- Molecular weight
- 248.23
Names & synonyms
5527-76-44H-1-Benzopyran-2-carboxylic acid, 5-methoxy-4-oxo-, ethyl esterBRN 1319702Ethyl 5-methoxy-4-oxo-4H-1-benzopyran-2-carboxylateDTXSID202037785-18-09-00074 (Beilstein Handbook Reference)RefChem:100668DTXCID50126269ethyl 5-methoxy-4-oxo-4H-chromene-2-carboxylateethyl 5-methoxy-4-oxochromene-2-carboxylateMFCD01662449ethyl 5-methoxy-4-oxo-chromene-2-carboxylate
Show more names
ethyl5-methoxy-4-oxo-4h-1-benzopyran-2-carboxylate5-methoxy-4-oxo-4h-1-benzopyran-2-carboxylicaciethylesterETHYL 5-METHOXY-4-OXO-1,4-DIHYDRONAPHTHALENE-2-CARBOXYLATE
SCHEMBL5279035SCHEMBL30224991AKOS037644440AS-53662P16841F534895
Database identifiers
- CAS
5527-76-4- PubChem CID
- 200031
- DTXSID
DTXSID20203778- Nikkaji
- J2.210.273G
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 374
Chemistry & industry
Suppliers1 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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