7-methyl-4-oxo-2,3-dihydrochromene-2-carboxylic acid

C11H10O4 — CID 16643032

IUPAC7-methyl-4-oxo-2,3-dihydrochromene-2-carboxylic acid
SMILESCc1ccc2c(c1)OC(C(=O)O)CC2=O
InChIInChI=1S/C11H10O4/c1-6-2-3-7-8(12)5-10(11(13)14)15-9(7)4-6/h2-4,10H,5H2,1H3,(H,13,14)
InChIKeyZGRXYZXUTIGSOS-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.41
Rot. Bonds1

About 7-methyl-4-oxo-2,3-dihydrochromene-2-carboxylic acid

7-methyl-4-oxo-2,3-dihydrochromene-2-carboxylic acid (PubChem CID 16643032) has the molecular formula C11H10O4 and a molecular weight of 206.20 g/mol. Its IUPAC name is 7-methyl-4-oxo-2,3-dihydrochromene-2-carboxylic acid.

Molecular Properties

Compound Name7-methyl-4-oxo-2,3-dihydrochromene-2-carboxylic acid
PubChem CID16643032
Molecular FormulaC11H10O4
Molecular Weight206.20 g/mol
Exact Mass206.06
IUPAC Name7-methyl-4-oxo-2,3-dihydrochromene-2-carboxylic acid
SMILESCc1ccc2c(c1)OC(C(=O)O)CC2=O
InChIInChI=1S/C11H10O4/c1-6-2-3-7-8(12)5-10(11(13)14)15-9(7)4-6/h2-4,10H,5H2,1H3,(H,13,14)
InChIKeyZGRXYZXUTIGSOS-UHFFFAOYSA-N
XLogP1.41
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-oxo-2,3-dihydrochromene-2-carboxylic acid?
The IUPAC name of 7-methyl-4-oxo-2,3-dihydrochromene-2-carboxylic acid (CID 16643032) is 7-methyl-4-oxo-2,3-dihydrochromene-2-carboxylic acid.
What is the SMILES notation for 7-methyl-4-oxo-2,3-dihydrochromene-2-carboxylic acid?
The canonical SMILES for 7-methyl-4-oxo-2,3-dihydrochromene-2-carboxylic acid is Cc1ccc2c(c1)OC(C(=O)O)CC2=O.
What is the InChIKey of 7-methyl-4-oxo-2,3-dihydrochromene-2-carboxylic acid?
The InChIKey is ZGRXYZXUTIGSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O4/c1-6-2-3-7-8(12)5-10(11(13)14)15-9(7)4-6/h2-4,10H,5H2,1H3,(H,13,14).
What are the key properties of 7-methyl-4-oxo-2,3-dihydrochromene-2-carboxylic acid?
7-methyl-4-oxo-2,3-dihydrochromene-2-carboxylic acid has a molecular weight of 206.20 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-oxo-2,3-dihydrochromene-2-carboxylic acid is sourced from PubChem (CID 16643032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).