3-(9H-fluoren-9-yl)-3-oxopropanoic acid

C16H12O3 — CID 13146062

IUPAC3-(9H-fluoren-9-yl)-3-oxopropanoic acid
SMILESO=C(O)CC(=O)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C16H12O3/c17-14(9-15(18)19)16-12-7-3-1-5-10(12)11-6-2-4-8-13(11)16/h1-8,16H,9H2,(H,18,19)
InChIKeyQQEZNJVQLJTDRX-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.84
Rot. Bonds3

About 3-(9H-fluoren-9-yl)-3-oxopropanoic acid

3-(9H-fluoren-9-yl)-3-oxopropanoic acid (PubChem CID 13146062) has the molecular formula C16H12O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 3-(9H-fluoren-9-yl)-3-oxopropanoic acid.

Molecular Properties

Compound Name3-(9H-fluoren-9-yl)-3-oxopropanoic acid
PubChem CID13146062
Molecular FormulaC16H12O3
Molecular Weight252.27 g/mol
Exact Mass252.08
IUPAC Name3-(9H-fluoren-9-yl)-3-oxopropanoic acid
SMILESO=C(O)CC(=O)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C16H12O3/c17-14(9-15(18)19)16-12-7-3-1-5-10(12)11-6-2-4-8-13(11)16/h1-8,16H,9H2,(H,18,19)
InChIKeyQQEZNJVQLJTDRX-UHFFFAOYSA-N
XLogP2.84
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(9H-fluoren-9-yl)butan-1-one
CID 83046964
N-ethyl-9H-fluorene-9-carboxamide
CID 22891606
N,N-bis(9H-fluorene-9-carbonyl)-9H-fluorene-9-carboxamide
CID 70378665
triphenylstannyl 9H-fluorene-9-carboxylate
CID 71445890
4-(9H-fluoren-9-ylamino)butanoic acid
CID 60782933
3-[2-(9H-fluoren-9-yl)ethyl-methylamino]propanoic acid
CID 69412355
N-naphthalen-1-yl-9H-fluorene-9-carboxamide
CID 3820990
methyl 2-methyl-9H-fluorene-9-carboxylate
CID 139254055
2-(9H-fluorene-9-carbonyloxy)ethanesulfonic acid
CID 121308516
2-hydroxyethyl 9H-fluorene-9-carboxylate;2-methylprop-2-enoic acid
CID 70268777
2-fluoro-9H-fluorene-9-carboxylic acid
CID 14579584
1-(9,10-dihydroanthracen-9-yl)butane-1,3-dione
CID 3687478

Frequently Asked Questions

What is the IUPAC name of 3-(9H-fluoren-9-yl)-3-oxopropanoic acid?
The IUPAC name of 3-(9H-fluoren-9-yl)-3-oxopropanoic acid (CID 13146062) is 3-(9H-fluoren-9-yl)-3-oxopropanoic acid.
What is the SMILES notation for 3-(9H-fluoren-9-yl)-3-oxopropanoic acid?
The canonical SMILES for 3-(9H-fluoren-9-yl)-3-oxopropanoic acid is O=C(O)CC(=O)C1c2ccccc2-c2ccccc21.
What is the InChIKey of 3-(9H-fluoren-9-yl)-3-oxopropanoic acid?
The InChIKey is QQEZNJVQLJTDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O3/c17-14(9-15(18)19)16-12-7-3-1-5-10(12)11-6-2-4-8-13(11)16/h1-8,16H,9H2,(H,18,19).
What are the key properties of 3-(9H-fluoren-9-yl)-3-oxopropanoic acid?
3-(9H-fluoren-9-yl)-3-oxopropanoic acid has a molecular weight of 252.27 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9H-fluoren-9-yl)-3-oxopropanoic acid is sourced from PubChem (CID 13146062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).