4-oxo-6-propylpyran-2-carboxylic acid

C9H10O4 — CID 59364492

IUPAC4-oxo-6-propylpyran-2-carboxylic acid
SMILESCCCc1cc(=O)cc(C(=O)O)o1
InChIInChI=1S/C9H10O4/c1-2-3-7-4-6(10)5-8(13-7)9(11)12/h4-5H,2-3H2,1H3,(H,11,12)
InChIKeyWFSSGZYJLZZWLC-UHFFFAOYSA-N
MW182.18 g/mol
LogP1.29
Rot. Bonds3

About 4-oxo-6-propylpyran-2-carboxylic acid

4-oxo-6-propylpyran-2-carboxylic acid (PubChem CID 59364492) has the molecular formula C9H10O4 and a molecular weight of 182.18 g/mol. Its IUPAC name is 4-oxo-6-propylpyran-2-carboxylic acid.

Molecular Properties

Compound Name4-oxo-6-propylpyran-2-carboxylic acid
PubChem CID59364492
Molecular FormulaC9H10O4
Molecular Weight182.18 g/mol
Exact Mass182.06
IUPAC Name4-oxo-6-propylpyran-2-carboxylic acid
SMILESCCCc1cc(=O)cc(C(=O)O)o1
InChIInChI=1S/C9H10O4/c1-2-3-7-4-6(10)5-8(13-7)9(11)12/h4-5H,2-3H2,1H3,(H,11,12)
InChIKeyWFSSGZYJLZZWLC-UHFFFAOYSA-N
XLogP1.29
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Chelidonic acid
CID 7431
Meconic acid
CID 10347
3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic acid
CID 83816179
3,4-dihydro-2H-pyran-6-carboxylic acid
CID 12511667
Chelidonic Acid Monohydrate
CID 51346158
5,6-dimethyl-4-oxo-4H-pyran-2-carboxylic acid
CID 2786724
4-ethyl-2H-pyran-2-one-6-carboxylic acid
CID 14516694
[6-(Hydroxymethyl)-4-oxopyran-3-yl] 2,2-dimethylpropanoate
CID 14089160
5-Hydroxy-6-Methyl-4-Oxo-4h-Pyran-2-Carboxylic Acid
CID 129925861
Meconic acid trihydrate
CID 71586875
6-(ethoxycarbonyl)-4-oxo-4H-pyran-2-carboxylic acid
CID 13082032
4H-Pyran-2,6-dicarboxylic acid
CID 53831657

Frequently Asked Questions

What is the IUPAC name of 4-oxo-6-propylpyran-2-carboxylic acid?
The IUPAC name of 4-oxo-6-propylpyran-2-carboxylic acid (CID 59364492) is 4-oxo-6-propylpyran-2-carboxylic acid.
What is the SMILES notation for 4-oxo-6-propylpyran-2-carboxylic acid?
The canonical SMILES for 4-oxo-6-propylpyran-2-carboxylic acid is CCCc1cc(=O)cc(C(=O)O)o1.
What is the InChIKey of 4-oxo-6-propylpyran-2-carboxylic acid?
The InChIKey is WFSSGZYJLZZWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O4/c1-2-3-7-4-6(10)5-8(13-7)9(11)12/h4-5H,2-3H2,1H3,(H,11,12).
What are the key properties of 4-oxo-6-propylpyran-2-carboxylic acid?
4-oxo-6-propylpyran-2-carboxylic acid has a molecular weight of 182.18 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-6-propylpyran-2-carboxylic acid is sourced from PubChem (CID 59364492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).