2-Methylspiro[cyclopropane-1,9'-fluorene]-2-carboxylic acid
Basic information
- CAS
41826-00-0- Standard SMILES
CC1(C(=O)O)CC12c1ccccc1-c1ccccc12- InChIKey
PHQFNGVEURDSTJ-UHFFFAOYSA-N- Molecular formula
- C17H14O2
- Average molar mass
- 250.29 g/mol
- Monoisotopic mass
- 250.09937969
Names & identifiers
- Preferred name
- 2-Methylspiro[cyclopropane-1,9'-fluorene]-2-carboxylic acid
- IUPAC
- 1-methylspiro[cyclopropane-2,9'-fluorene]-1-carboxylic acid
Names & synonyms
MLS00270664841826-00-02-methylspiro[cyclopropane-1,9'-fluorene]-2-carboxylic acidNSC116462CHEMBL2140722DTXSID00297514NSC-116462SMR001574049
Database identifiers
- CAS
41826-00-0- PubChem CID
- 272191
- DTXSID
DTXSID00297514- ChEMBL
CHEMBL2140722
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 393
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Compound notes
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