Basic information
- CAS
64059-36-5- Standard SMILES
O=C(O)c1ccc2cccccc1-2- InChIKey
HGLFWLLFPGIKOT-UHFFFAOYSA-N- Molecular formula
- C11H8O2
- Average molar mass
- 172.18 g/mol
- Monoisotopic mass
- 172.05242949
Names & identifiers
- Preferred name
- Azulenecarboxylic acid
- IUPAC
- azulene-1-carboxylic acid
Names & synonyms
AZULENECARBOXYLIC ACID64059-36-5DTXSID90214250RefChem:1077429DTXCID90136741azulene-1-carboxylic acid1201-25-8Azuloic acid1-Azulenecarboxylic acid1-carboxyazuleneazulene, 1-carboxy-azulene-1-carboxylicacid
Show more names
SCHEMBL1479704SCHEMBL5367140CHEMBL5203257SCHEMBL31517118HGLFWLLFPGIKOT-UHFFFAOYSA-DB-243058InChI=1/C11H8O2/c12-11(13)10-7-6-8-4-2-1-3-5-9(8)10/h1-7H,(H,12,13)
Database identifiers
- CAS
64059-36-5- PubChem CID
- 47237
- DTXSID
DTXSID90214250- ChEMBL
CHEMBL5203257- Nikkaji
- J80.090B
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 200
Experimental & physicochemical properties
LogP2.88
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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