2-ethyl-4H-chromene-3-carboxylic acid
Basic information
- CAS
1354949-38-4- Standard SMILES
CCC1=C(C(=O)O)Cc2ccccc2O1- InChIKey
HTXKPILAAQJECD-UHFFFAOYSA-N- Molecular formula
- C12H12O3
- Average molar mass
- 204.22 g/mol
- Monoisotopic mass
- 204.07864424
Names & identifiers
- Preferred name
- 2-ethyl-4H-chromene-3-carboxylic acid
- IUPAC
- 2-ethyl-4H-chromene-3-carboxylic acid
- English name
- 2-ethyl-4H-chromene-3-carboxylic acid
- Molecular formula
- C12H12O3
- Molecular weight
- 204.22
Names & synonyms
2-ethyl-4H-chromene-3-carboxylic acid1354949-38-4DTXSID201261255EEC949382-ethyl-4H-chromene-3-carboxylicacidAKOS0267286202-Ethyl-4H-1-benzopyran-3-carboxylic acidCS-0264085EN300-917644H-1-Benzopyran-3-carboxylic acid, 2-ethyl-Z1262433897
Database identifiers
- CAS
1354949-38-4- PubChem CID
- 54595682
- DTXSID
DTXSID201261255
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 293
Physicochemical properties
- 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
0 records
No reaction records under the current filter.
Compound notes
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