2,7-dimethyl-9H-fluorene-9-carboxylic acid

HCID 348396

Notes Reactions

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Basic information

CAS: 2941-87-9
Standard SMILES: Cc1ccc2c(c1)C(C(=O)O)c1cc(C)ccc1-2
InChIKey: BJZXQAPTSUYLDF-UHFFFAOYSA-N
Molecular formula: C16H14O2
Average molar mass: 238.28 g/mol
Monoisotopic mass: 238.09937969

Names & identifiers

Preferred name: 2,7-dimethyl-9H-fluorene-9-carboxylic acid
IUPAC: 2,7-dimethyl-9H-fluorene-9-carboxylic acid

Names & synonyms

2941-87-92,7-dimethyl-9H-fluorene-9-carboxylic acidNSC4076712,7-dimethyl-9-fluorenecarboxylic acidSCHEMBL9449550DTXSID10324769BJZXQAPTSUYLDF-UHFFFAOYSA-NNSC-407671

Database identifiers

CAS: 2941-87-9
PubChem CID: 348396
DTXSID: DTXSID10324769

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 18
Formal charge: 0
Complexity: 312

Related reactions

5 records

New reaction record

HRID 1089841As productuspto-grants-1992_01

HRID 1089842As reactantuspto-grants-1992_01

HRID 1089845As productuspto-grants-1992_01

HRID 1123824As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1143459As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

Compound notes

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