3-hydroxy-4-methylidenepyran-2-carboxylic acid

C7H6O4 — CID 147118279

IUPAC3-hydroxy-4-methylidenepyran-2-carboxylic acid
SMILESC=C1C=COC(C(=O)O)=C1O
InChIInChI=1S/C7H6O4/c1-4-2-3-11-6(5(4)8)7(9)10/h2-3,8H,1H2,(H,9,10)
InChIKeyBNVWAXAIFGDQTF-UHFFFAOYSA-N
MW154.12 g/mol
LogP0.94
Rot. Bonds1

About 3-hydroxy-4-methylidenepyran-2-carboxylic acid

3-hydroxy-4-methylidenepyran-2-carboxylic acid (PubChem CID 147118279) has the molecular formula C7H6O4 and a molecular weight of 154.12 g/mol. Its IUPAC name is 3-hydroxy-4-methylidenepyran-2-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-4-methylidenepyran-2-carboxylic acid
PubChem CID147118279
Molecular FormulaC7H6O4
Molecular Weight154.12 g/mol
Exact Mass154.03
IUPAC Name3-hydroxy-4-methylidenepyran-2-carboxylic acid
SMILESC=C1C=COC(C(=O)O)=C1O
InChIInChI=1S/C7H6O4/c1-4-2-3-11-6(5(4)8)7(9)10/h2-3,8H,1H2,(H,9,10)
InChIKeyBNVWAXAIFGDQTF-UHFFFAOYSA-N
XLogP0.94
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.12
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Comenic acid
CID 68139
3-Hydroxy-4-oxo-4H-pyran-2-carboxylic acid
CID 3010943
alpha-Pyrone-4,6-dicarboxylic acid
CID 372
Iso-arabidopyl alcohol
CID 102515144
4-[(E)-3-hydroxyprop-1-enyl]-6-oxopyran-2-carboxylate
CID 102515512
4h-Pyranic acid
CID 18395243
Pyrol-2-carboxylic acid
CID 56994075
6-oxo-5-[(E)-3-oxoprop-1-enyl]pyran-2-carboxylic acid
CID 102515092
5-[(E)-3-hydroxyprop-1-enyl]-6-oxopyran-2-carboxylic acid
CID 102515145
6-oxo-4-[(E)-3-oxoprop-1-enyl]pyran-2-carboxylic acid
CID 102515160
5-[(E)-2-carboxyethenyl]-6-oxopyran-2-carboxylic acid
CID 102515466
Arabidopyl alcohol
CID 102515513

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methylidenepyran-2-carboxylic acid?
The IUPAC name of 3-hydroxy-4-methylidenepyran-2-carboxylic acid (CID 147118279) is 3-hydroxy-4-methylidenepyran-2-carboxylic acid.
What is the SMILES notation for 3-hydroxy-4-methylidenepyran-2-carboxylic acid?
The canonical SMILES for 3-hydroxy-4-methylidenepyran-2-carboxylic acid is C=C1C=COC(C(=O)O)=C1O.
What is the InChIKey of 3-hydroxy-4-methylidenepyran-2-carboxylic acid?
The InChIKey is BNVWAXAIFGDQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O4/c1-4-2-3-11-6(5(4)8)7(9)10/h2-3,8H,1H2,(H,9,10).
What are the key properties of 3-hydroxy-4-methylidenepyran-2-carboxylic acid?
3-hydroxy-4-methylidenepyran-2-carboxylic acid has a molecular weight of 154.12 g/mol, XLogP of 0.94, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methylidenepyran-2-carboxylic acid is sourced from PubChem (CID 147118279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).