1-oxo-1H-isochromene-3-carboxylic acid
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Basic information
- CAS
2289-03-4- Standard SMILES
O=C(O)c1cc2ccccc2c(=O)o1- InChIKey
CRPAMTZHVXHTKH-UHFFFAOYSA-N- Molecular formula
- C10H6O4
- Average molar mass
- 190.15 g/mol
- Monoisotopic mass
- 190.02660867
Overview
1-oxo-1H-isochromene-3-carboxylic acid is a member of isocoumarins.
Names & identifiers
- Preferred name
- 1-oxo-1H-isochromene-3-carboxylic acid
- IUPAC
- 1-oxoisochromene-3-carboxylic acid
- English name
- 1-Oxo-1H-isochromene-3-carboxylic Acid
- Molecular formula
- C10H6O4
- Molecular weight
- 190.15
Names & synonyms
1-oxo-1H-isochromene-3-carboxylic acid2289-03-4DTXSID90323174RefChem:232823DTXCID902742931-oxoisochromene-3-carboxylic acid1-oxo-1h-2-benzopyran-3-carboxylic acidMFCD03819933Isocoumarin-3-carboxylic acid1-oxo-1H-isochromene-3-carboxylicacidNSC403262SCHEMBL175987
Show more names
1H-2-Benzopyran-3-carboxylic acid, 1-oxo-
Isocoumarin -3- carboxylic acidCHEBI:192116CRPAMTZHVXHTKH-UHFFFAOYSA-NAC5673AKOS002320444NSC-403262SY045104ST50773429
Database identifiers
- CAS
2289-03-4- PubChem CID
- 345561
- DTXSID
DTXSID90323174- ChEBI
CHEBI:192116- EC Number
- 112-914-8
Properties
Computed structural propertiesFilling in
- XLogP
- 1.6
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 305
Physicochemical properties
- Comptox DTXSID
- 90323174 · DTXSID90323174
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Additional notes
DefinitionChEBI: 1-oxo-1H-isochromene-3-carboxylic acid is a member of isocoumarins.
Related reactions
4 records
Compound notes
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