(3-methyl-5-oxo-7,8-dihydro-6H-chromen-4-ylidene)oxidanium perchlorate

C10H11ClO7 — CID 52993849

IUPAC(3-methyl-5-oxo-7,8-dihydro-6H-chromen-4-ylidene)oxidanium perchlorate
SMILES[H]/[O+]=c1\c(C)coc2c1C(=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-3.64
Rot. Bonds

About (3-methyl-5-oxo-7,8-dihydro-6H-chromen-4-ylidene)oxidanium perchlorate

(3-methyl-5-oxo-7,8-dihydro-6H-chromen-4-ylidene)oxidanium perchlorate (PubChem CID 52993849) has the molecular formula C10H11ClO7 and a molecular weight of 278.64 g/mol. Its IUPAC name is (3-methyl-5-oxo-7,8-dihydro-6H-chromen-4-ylidene)oxidanium perchlorate.

Molecular Properties

Compound Name(3-methyl-5-oxo-7,8-dihydro-6H-chromen-4-ylidene)oxidanium perchlorate
PubChem CID52993849
Molecular FormulaC10H11ClO7
Molecular Weight278.64 g/mol
Exact Mass278.02
IUPAC Name(3-methyl-5-oxo-7,8-dihydro-6H-chromen-4-ylidene)oxidanium perchlorate
SMILES[H]/[O+]=c1\c(C)coc2c1C(=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-3.64
TPSA143.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.64
LogP ≤ 5-3.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-5-oxo-7,8-dihydro-6H-chromen-4-ylidene)oxidanium perchlorate?
The IUPAC name of (3-methyl-5-oxo-7,8-dihydro-6H-chromen-4-ylidene)oxidanium perchlorate (CID 52993849) is (3-methyl-5-oxo-7,8-dihydro-6H-chromen-4-ylidene)oxidanium perchlorate.
What is the SMILES notation for (3-methyl-5-oxo-7,8-dihydro-6H-chromen-4-ylidene)oxidanium perchlorate?
The canonical SMILES for (3-methyl-5-oxo-7,8-dihydro-6H-chromen-4-ylidene)oxidanium perchlorate is [H]/[O+]=c1\c(C)coc2c1C(=O)CCC2.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of (3-methyl-5-oxo-7,8-dihydro-6H-chromen-4-ylidene)oxidanium perchlorate?
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-5-oxo-7,8-dihydro-6H-chromen-4-ylidene)oxidanium perchlorate?
(3-methyl-5-oxo-7,8-dihydro-6H-chromen-4-ylidene)oxidanium perchlorate has a molecular weight of 278.64 g/mol, XLogP of -3.64, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-5-oxo-7,8-dihydro-6H-chromen-4-ylidene)oxidanium perchlorate is sourced from PubChem (CID 52993849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).