1-oxo-4-phenyl-1H-isochromene-3-carboxylic acid
Basic information
- CAS
37617-98-4- Standard SMILES
O=C(O)c1oc(=O)c2ccccc2c1-c1ccccc1- InChIKey
ZYYZSIFSEWJZOO-UHFFFAOYSA-N- Molecular formula
- C16H10O4
- Average molar mass
- 266.25 g/mol
- Monoisotopic mass
- 266.0579088
Names & identifiers
- Preferred name
- 1-oxo-4-phenyl-1H-isochromene-3-carboxylic acid
- IUPAC
- 1-oxo-4-phenylisochromene-3-carboxylic acid
- English name
- 1-Oxo-4-phenyl-1H-isochromene-3-carboxylic acid
- Molecular formula
- C16H10O4
- Molecular weight
- 266.25
Names & synonyms
1-oxo-4-phenyl-1H-isochromene-3-carboxylic acid37617-98-4DTXSID60400789RefChem:232860DTXCID402033511-oxo-4-phenylisochromene-3-carboxylic acidMFCD028536761-oxo-4-phenyl-1H-2-benzopyran-3-carboxylic acid1-oxo-4-phenyl-isochromene-3-carboxylic AcidSCHEMBL3361896ZYYZSIFSEWJZOO-UHFFFAOYSA-NALBB-006655
Show more names
1-oxo-4-phenyl-3-isochromenecarboxylic acid1-keto-4-phenyl-isochromene-3-carboxylic acid1H-2-Benzopyran-3-carboxylic acid, 1-oxo-4-phenyl-
AKOS000266379LS-02362CS-0358224EU-0033230H241591-oxo-4-phenyl-1H-isochromene-3-carboxylicacidSR-01000597151SR-01000597151-1
Database identifiers
- CAS
37617-98-4- PubChem CID
- 4201742
- DTXSID
DTXSID60400789- Nikkaji
- J2.704.110H
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 445
Physicochemical properties
- HazardClass
- IRRITANT
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
- hazard_class
- IRRITANT
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
1 records
Compound notes
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