2-hydroxy-4-methylpyran-2-carboxylic acid

C7H8O4 — CID 70180608

IUPAC2-hydroxy-4-methylpyran-2-carboxylic acid
SMILESCC1=CC(O)(C(=O)O)OC=C1
InChIInChI=1S/C7H8O4/c1-5-2-3-11-7(10,4-5)6(8)9/h2-4,10H,1H3,(H,8,9)
InChIKeyWIJBGRLKCOPMKW-UHFFFAOYSA-N
MW156.14 g/mol
LogP0.25
Rot. Bonds1

About 2-hydroxy-4-methylpyran-2-carboxylic acid

2-hydroxy-4-methylpyran-2-carboxylic acid (PubChem CID 70180608) has the molecular formula C7H8O4 and a molecular weight of 156.14 g/mol. Its IUPAC name is 2-hydroxy-4-methylpyran-2-carboxylic acid.

Molecular Properties

Compound Name2-hydroxy-4-methylpyran-2-carboxylic acid
PubChem CID70180608
Molecular FormulaC7H8O4
Molecular Weight156.14 g/mol
Exact Mass156.04
IUPAC Name2-hydroxy-4-methylpyran-2-carboxylic acid
SMILESCC1=CC(O)(C(=O)O)OC=C1
InChIInChI=1S/C7H8O4/c1-5-2-3-11-7(10,4-5)6(8)9/h2-4,10H,1H3,(H,8,9)
InChIKeyWIJBGRLKCOPMKW-UHFFFAOYSA-N
XLogP0.25
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Pyrosaure
CID 13541300
Pyrol-2-carboxylic acid
CID 56994075
2-(2-Hydroxypyran-2-carbonyl)oxypyran-2-carboxylic acid
CID 123257697
5-Hydroxy-methylpyran-2-carboxylic acid
CID 129714535
5-[(E)-3-hydroxyprop-1-enyl]-6-oxopyran-2-carboxylic acid
CID 102515145
Ietaovogqierhc-uhfffaoysa-
CID 21581350
2-Methylpyran-2-carboxylic acid
CID 19867368
2,5-Dihydropyrano[2,3-b]pyran-2-carboxylic acid
CID 19873310
2H-pyran-4,6-dicarboxylic acid
CID 20325018
5-[(E)-3-methoxy-3-oxoprop-1-enyl]-4-oxopyran-2-carboxylic acid
CID 24962974
3-hydroxy-4,5-dimethyl-2H-pyran-2-carboxylic acid
CID 67579543
2H-pyran-5,6-dicarboxylic acid
CID 67685106

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methylpyran-2-carboxylic acid?
The IUPAC name of 2-hydroxy-4-methylpyran-2-carboxylic acid (CID 70180608) is 2-hydroxy-4-methylpyran-2-carboxylic acid.
What is the SMILES notation for 2-hydroxy-4-methylpyran-2-carboxylic acid?
The canonical SMILES for 2-hydroxy-4-methylpyran-2-carboxylic acid is CC1=CC(O)(C(=O)O)OC=C1.
What is the InChIKey of 2-hydroxy-4-methylpyran-2-carboxylic acid?
The InChIKey is WIJBGRLKCOPMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O4/c1-5-2-3-11-7(10,4-5)6(8)9/h2-4,10H,1H3,(H,8,9).
What are the key properties of 2-hydroxy-4-methylpyran-2-carboxylic acid?
2-hydroxy-4-methylpyran-2-carboxylic acid has a molecular weight of 156.14 g/mol, XLogP of 0.25, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-methylpyran-2-carboxylic acid is sourced from PubChem (CID 70180608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).