ethyl 2H-chromene-3-carboxylate
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Basic information
- CAS
57543-58-5- Standard SMILES
CCOC(=O)C1=Cc2ccccc2OC1- InChIKey
VAANEDBEKZZBRU-UHFFFAOYSA-N- Molecular formula
- C12H12O3
- Average molar mass
- 204.22 g/mol
- Monoisotopic mass
- 204.07864424
Names & identifiers
- Preferred name
- ethyl 2H-chromene-3-carboxylate
- IUPAC
- ethyl 2H-chromene-3-carboxylate
- English name
- 2H-CHROMENE-3-CARBOXYLIC ACID ETHYL ESTER
- Molecular formula
- C12H12O3
- Molecular weight
- 204.22
Names & synonyms
ethyl 2H-chromene-3-carboxylate57543-58-52H-CHROMENE-3-CARBOXYLIC ACID ETHYL ESTERMFCD04114583Ethyl2H-chromene-3-carboxylateNSC118973SCHEMBL4537381SCHEMBL29435098DTXSID40297891ethyl 2h-1-benzopyran-3-carboxylateAKOS016009756AB18604
Show more names
RARECHEM AL BI 12122H-1-Benzopyran-3-carboxylic acid, ethyl ester
CCG-320346NSC-118973DB-072329CS-0298965E80365Z2833795082H-CHROMENE-3-CARBOXYLIC ACID ETHYL ESTER ethyl 2H-chromene-3-carboxylate
Database identifiers
- CAS
57543-58-5- PubChem CID
- 273607
- DTXSID
DTXSID40297891
Properties
Computed structural propertiesFilling in
- XLogP
- 2.2
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 270
Physicochemical properties
- storage temp.
- 2 · 2-8°C
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
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Compound notes
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