4H-1-Benzopyran-2-carboxylic acid, 4-oxo-, methyl ester
Basic information
- CAS
18398-73-7- Standard SMILES
COC(=O)c1cc(=O)c2ccccc2o1- InChIKey
WNVKMIHNAHIVDP-UHFFFAOYSA-N- Molecular formula
- C11H8O4
- Average molar mass
- 204.18 g/mol
- Monoisotopic mass
- 204.04225873
Names & identifiers
- Preferred name
- 4H-1-Benzopyran-2-carboxylic acid, 4-oxo-, methyl ester
- IUPAC
- methyl 4-oxochromene-2-carboxylate
- English name
- Methyl 4-oxo-4H-chromene-2-carboxylate
- Molecular formula
- C11H8O4
- Molecular weight
- 204.18
Names & synonyms
18398-73-7Chromone-2-carboxylic acid methyl esterMethyl chromone-2-carboxylateBRN 00116974-Oxo-4H-1-benzopyran-2-carboxylic acid methyl ester4H-1-BENZOPYRAN-2-CARBOXYLIC ACID, 4-OXO-, METHYL ESTERDTXSID40171521RefChem:100667DTXCID10940125-18-08-00312 (Beilstein Handbook Reference)methyl 4-oxo-4H-chromene-2-carboxylatemethyl 4-oxochromene-2-carboxylate
Show more names
SPECS AE-641/046090134-Oxo-4H-Benzopyran-2-carboxylic acid methyl esterJRH-00901, Methyl 4-oxo-4H-chromene-2-carboxylate, 97%
MFCD002500764H-1-Benzopyran-2-carboxylicacid, 4-oxo-, methyl ester2-methoxycarbonylchromoneSCHEMBL3397825SCHEMBL29463595TAA39873AC4956BBL022615
Database identifiers
- CAS
18398-73-7- PubChem CID
- 29057
- DTXSID
DTXSID40171521- Nikkaji
- J2.777.914J
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 319
Physicochemical properties
- Melting point
- 113 °C · 113 °C
- Boiling point
- 311.3 · 311.3±42.0 °C(Predicted)
- Density
- 1.337 · 1.337±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
7 records
Compound notes
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