9H-fluorene;formic acid

C17H18O8 — CID 175878260

IUPAC9H-fluorene;formic acid
SMILESO=CO.O=CO.O=CO.O=CO.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C13H10.4CH2O2/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;4*2-1-3/h1-8H,9H2;4*1H,(H,2,3)
InChIKeyMBTMSMBBYPNKHG-UHFFFAOYSA-N
MW350.32 g/mol
LogP2.06
Rot. Bonds

About 9H-fluorene;formic acid

9H-fluorene;formic acid (PubChem CID 175878260) has the molecular formula C17H18O8 and a molecular weight of 350.32 g/mol. Its IUPAC name is 9H-fluorene;formic acid.

Molecular Properties

Compound Name9H-fluorene;formic acid
PubChem CID175878260
Molecular FormulaC17H18O8
Molecular Weight350.32 g/mol
Exact Mass350.10
IUPAC Name9H-fluorene;formic acid
SMILESO=CO.O=CO.O=CO.O=CO.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C13H10.4CH2O2/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;4*2-1-3/h1-8H,9H2;4*1H,(H,2,3)
InChIKeyMBTMSMBBYPNKHG-UHFFFAOYSA-N
XLogP2.06
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.32
LogP ≤ 52.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

9H-fluorene;oxophosphane
CID 174601741
9H-fluorene;oxozirconium
CID 174355249
chromium;9H-fluorene
CID 161167703
cadmium;9H-fluorene
CID 175337736
azane;hexakis(9H-fluorene)
CID 158472914
9H-fluorene;trihydrofluoride
CID 172854917
azane;9H-fluorene;hydrobromide
CID 174352852
9H-fluorene;sulfane;hydrate
CID 159057499
ethene;9H-fluorene
CID 159544077
bis(9H-fluorene);bis(prop-2-enoic acid)
CID 175756220
9H-fluorene;bis(prop-2-enoic acid)
CID 159231151
carbon dioxide;9H-fluorene;methane
CID 158285860

Frequently Asked Questions

What is the IUPAC name of 9H-fluorene;formic acid?
The IUPAC name of 9H-fluorene;formic acid (CID 175878260) is 9H-fluorene;formic acid.
What is the SMILES notation for 9H-fluorene;formic acid?
The canonical SMILES for 9H-fluorene;formic acid is O=CO.O=CO.O=CO.O=CO.c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of 9H-fluorene;formic acid?
The InChIKey is MBTMSMBBYPNKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10.4CH2O2/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;4*2-1-3/h1-8H,9H2;4*1H,(H,2,3).
What are the key properties of 9H-fluorene;formic acid?
9H-fluorene;formic acid has a molecular weight of 350.32 g/mol, XLogP of 2.06, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluorene;formic acid is sourced from PubChem (CID 175878260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).