9H-fluorene-1-carboxylic acid;9H-fluorene-2,7-dicarboxylic acid

C29H20O6 — CID 158991215

IUPAC9H-fluorene-1-carboxylic acid;9H-fluorene-2,7-dicarboxylic acid
SMILESO=C(O)c1ccc2c(c1)Cc1cc(C(=O)O)ccc1-2.O=C(O)c1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C15H10O4.C14H10O2/c16-14(17)8-1-3-12-10(5-8)7-11-6-9(15(18)19)2-4-13(11)12;15-14(16)12-7-3-6-11-10-5-2-1-4-9(10)8-13(11)12/h1-6H,7H2,(H,16,17)(H,18,19);1-7H,8H2,(H,15,16)
InChIKeyJQEJKCITBYVEFI-UHFFFAOYSA-N
MW464.47 g/mol
LogP5.61
Rot. Bonds3

About 9H-fluorene-1-carboxylic acid;9H-fluorene-2,7-dicarboxylic acid

9H-fluorene-1-carboxylic acid;9H-fluorene-2,7-dicarboxylic acid (PubChem CID 158991215) has the molecular formula C29H20O6 and a molecular weight of 464.47 g/mol. Its IUPAC name is 9H-fluorene-1-carboxylic acid;9H-fluorene-2,7-dicarboxylic acid.

Molecular Properties

Compound Name9H-fluorene-1-carboxylic acid;9H-fluorene-2,7-dicarboxylic acid
PubChem CID158991215
Molecular FormulaC29H20O6
Molecular Weight464.47 g/mol
Exact Mass464.13
IUPAC Name9H-fluorene-1-carboxylic acid;9H-fluorene-2,7-dicarboxylic acid
SMILESO=C(O)c1ccc2c(c1)Cc1cc(C(=O)O)ccc1-2.O=C(O)c1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C15H10O4.C14H10O2/c16-14(17)8-1-3-12-10(5-8)7-11-6-9(15(18)19)2-4-13(11)12;15-14(16)12-7-3-6-11-10-5-2-1-4-9(10)8-13(11)12/h1-6H,7H2,(H,16,17)(H,18,19);1-7H,8H2,(H,15,16)
InChIKeyJQEJKCITBYVEFI-UHFFFAOYSA-N
XLogP5.61
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.47
LogP ≤ 55.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9H-fluorene-1-carboxylic acid;9H-fluorene-2,7-dicarboxylic acid?
The IUPAC name of 9H-fluorene-1-carboxylic acid;9H-fluorene-2,7-dicarboxylic acid (CID 158991215) is 9H-fluorene-1-carboxylic acid;9H-fluorene-2,7-dicarboxylic acid.
What is the SMILES notation for 9H-fluorene-1-carboxylic acid;9H-fluorene-2,7-dicarboxylic acid?
The canonical SMILES for 9H-fluorene-1-carboxylic acid;9H-fluorene-2,7-dicarboxylic acid is O=C(O)c1ccc2c(c1)Cc1cc(C(=O)O)ccc1-2.O=C(O)c1cccc2c1Cc1ccccc1-2.
What is the InChIKey of 9H-fluorene-1-carboxylic acid;9H-fluorene-2,7-dicarboxylic acid?
The InChIKey is JQEJKCITBYVEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O4.C14H10O2/c16-14(17)8-1-3-12-10(5-8)7-11-6-9(15(18)19)2-4-13(11)12;15-14(16)12-7-3-6-11-10-5-2-1-4-9(10)8-13(11)12/h1-6H,7H2,(H,16,17)(H,18,19);1-7H,8H2,(H,15,16).
What are the key properties of 9H-fluorene-1-carboxylic acid;9H-fluorene-2,7-dicarboxylic acid?
9H-fluorene-1-carboxylic acid;9H-fluorene-2,7-dicarboxylic acid has a molecular weight of 464.47 g/mol, XLogP of 5.61, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluorene-1-carboxylic acid;9H-fluorene-2,7-dicarboxylic acid is sourced from PubChem (CID 158991215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).