9H-fluorene;methanesulfonic acid

C14H14O3S — CID 172770963

IUPAC9H-fluorene;methanesulfonic acid
SMILESCS(=O)(=O)O.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C13H10.CH4O3S/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-5(2,3)4/h1-8H,9H2;1H3,(H,2,3,4)
InChIKeyMYFTWQCMQITEQL-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.76
Rot. Bonds

About 9H-fluorene;methanesulfonic acid

9H-fluorene;methanesulfonic acid (PubChem CID 172770963) has the molecular formula C14H14O3S and a molecular weight of 262.33 g/mol. Its IUPAC name is 9H-fluorene;methanesulfonic acid.

Molecular Properties

Compound Name9H-fluorene;methanesulfonic acid
PubChem CID172770963
Molecular FormulaC14H14O3S
Molecular Weight262.33 g/mol
Exact Mass262.07
IUPAC Name9H-fluorene;methanesulfonic acid
SMILESCS(=O)(=O)O.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C13H10.CH4O3S/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-5(2,3)4/h1-8H,9H2;1H3,(H,2,3,4)
InChIKeyMYFTWQCMQITEQL-UHFFFAOYSA-N
XLogP2.76
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

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CID 143080534
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10H-anthracen-9-one;ethane;methanol
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chromium;9H-fluorene
CID 161167703
azane;hexakis(9H-fluorene)
CID 158472914
cadmium;9H-fluorene
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9H-fluorene;trihydrofluoride
CID 172854917
3-methylsulfonyl-9H-fluorene
CID 59984556
9H-fluorene;formic acid
CID 175878260
tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-9,10-dione
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Frequently Asked Questions

What is the IUPAC name of 9H-fluorene;methanesulfonic acid?
The IUPAC name of 9H-fluorene;methanesulfonic acid (CID 172770963) is 9H-fluorene;methanesulfonic acid.
What is the SMILES notation for 9H-fluorene;methanesulfonic acid?
The canonical SMILES for 9H-fluorene;methanesulfonic acid is CS(=O)(=O)O.c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of 9H-fluorene;methanesulfonic acid?
The InChIKey is MYFTWQCMQITEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10.CH4O3S/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-5(2,3)4/h1-8H,9H2;1H3,(H,2,3,4).
What are the key properties of 9H-fluorene;methanesulfonic acid?
9H-fluorene;methanesulfonic acid has a molecular weight of 262.33 g/mol, XLogP of 2.76, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluorene;methanesulfonic acid is sourced from PubChem (CID 172770963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).