3-methyl-7,8-dihydro-6H-chromene-4,5-dione;perchloric acid

C10H11ClO7 — CID 131664786

IUPAC3-methyl-7,8-dihydro-6H-chromene-4,5-dione;perchloric acid
SMILESCc1coc2c(c1=O)C(=O)CCC2.[O-][Cl+3]([O-])([O-])O
InChIInChI=1S/C10H10O3.ClHO4/c1-6-5-13-8-4-2-3-7(11)9(8)10(6)12;2-1(3,4)5/h5H,2-4H2,1H3;(H,2,3,4,5)
InChIKeyXGVOPVIYWQPZSN-UHFFFAOYSA-N
MW278.64 g/mol
LogP-2.66
Rot. Bonds

About 3-methyl-7,8-dihydro-6H-chromene-4,5-dione;perchloric acid

3-methyl-7,8-dihydro-6H-chromene-4,5-dione;perchloric acid (PubChem CID 131664786) has the molecular formula C10H11ClO7 and a molecular weight of 278.64 g/mol. Its IUPAC name is 3-methyl-7,8-dihydro-6H-chromene-4,5-dione;perchloric acid.

Molecular Properties

Compound Name3-methyl-7,8-dihydro-6H-chromene-4,5-dione;perchloric acid
PubChem CID131664786
Molecular FormulaC10H11ClO7
Molecular Weight278.64 g/mol
Exact Mass278.02
IUPAC Name3-methyl-7,8-dihydro-6H-chromene-4,5-dione;perchloric acid
SMILESCc1coc2c(c1=O)C(=O)CCC2.[O-][Cl+3]([O-])([O-])O
InChIInChI=1S/C10H10O3.ClHO4/c1-6-5-13-8-4-2-3-7(11)9(8)10(6)12;2-1(3,4)5/h5H,2-4H2,1H3;(H,2,3,4,5)
InChIKeyXGVOPVIYWQPZSN-UHFFFAOYSA-N
XLogP-2.66
TPSA136.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.64
LogP ≤ 5-2.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-7,8-dihydro-6H-chromene-4,5-dione;perchloric acid?
The IUPAC name of 3-methyl-7,8-dihydro-6H-chromene-4,5-dione;perchloric acid (CID 131664786) is 3-methyl-7,8-dihydro-6H-chromene-4,5-dione;perchloric acid.
What is the SMILES notation for 3-methyl-7,8-dihydro-6H-chromene-4,5-dione;perchloric acid?
The canonical SMILES for 3-methyl-7,8-dihydro-6H-chromene-4,5-dione;perchloric acid is Cc1coc2c(c1=O)C(=O)CCC2.[O-][Cl+3]([O-])([O-])O.
What is the InChIKey of 3-methyl-7,8-dihydro-6H-chromene-4,5-dione;perchloric acid?
The InChIKey is XGVOPVIYWQPZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O3.ClHO4/c1-6-5-13-8-4-2-3-7(11)9(8)10(6)12;2-1(3,4)5/h5H,2-4H2,1H3;(H,2,3,4,5).
What are the key properties of 3-methyl-7,8-dihydro-6H-chromene-4,5-dione;perchloric acid?
3-methyl-7,8-dihydro-6H-chromene-4,5-dione;perchloric acid has a molecular weight of 278.64 g/mol, XLogP of -2.66, 0 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7,8-dihydro-6H-chromene-4,5-dione;perchloric acid is sourced from PubChem (CID 131664786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).