Basic information
- CAS
60951-26-0- Standard SMILES
O=C(O)C1(O)C=Cc2ccccc2O1- InChIKey
IKIQFBIWWSCKEP-UHFFFAOYSA-N- Molecular formula
- C10H8O4
- Average molar mass
- 192.17 g/mol
- Monoisotopic mass
- 192.04225873
Overview
2-hydroxychromene-2-carboxylic acid is a chromenemonocarboxylic acid that consists of chromene bearing carboxy and hydroxy substituents at the 2-position. It is a chromenol and a chromenemonocarboxylic acid. It is a conjugate acid of a 2-hydroxychromene-2-carboxylate.
Names & identifiers
- Preferred name
- 2-Hydroxychromene-2-carboxylic acid
- IUPAC
- 2-hydroxychromene-2-carboxylic acid
- English name
- 2-hydroxychromene-2-carboxylic acid
- Molecular formula
- C4H11BrSi
- Molecular weight
- 167.12
Names & synonyms
2-hydroxychromene-2-carboxylic acid2-hydroxy-2H-chromene-2-carboxylic acid60951-26-0CHEBI:28992DTXSID90274278RefChem:87506DTXCID202257586917-75-52-Hydroxy-2H-1-benzopyran-2-carboxylic acidSCHEMBL2933957SCHEMBL29359177DTXSID40988878
Show more names
2-hydroxychromene-2-car-boxylic acidPD038720C06204Q27104012
Database identifiers
- CAS
60951-26-0、6917-75-5- PubChem CID
- 584
- DTXSID
DTXSID40988878- ChEBI
CHEBI:28992- Nikkaji
- J2.372.221F
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 273
Physicochemical properties
- Boiling point
- 110 · 110-110.5 °C
- Density
- 1.165 · 1.165±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
Chemistry & industry
Additional notes
DefinitionChEBI: 2-hydroxychromene-2-carboxylic acid is a chromenemonocarboxylic acid that consists of chromene bearing carboxy and hydroxy substituents at the 2-position. It is a chromenol and a chromenemonocarboxylic acid. It is a conjugate acid of a 2-hydroxychromene-2-carboxylate.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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