7-hydroxy-4-methylchromen-2-one;sulfuric acid

C10H10O7S — CID 87147508

IUPAC7-hydroxy-4-methylchromen-2-one;sulfuric acid
SMILESCc1cc(=O)oc2cc(O)ccc12.O=S(=O)(O)O
InChIInChI=1S/C10H8O3.H2O4S/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9;1-5(2,3)4/h2-5,11H,1H3;(H2,1,2,3,4)
InChIKeyVEZKVXROZSCZBL-UHFFFAOYSA-N
MW274.25 g/mol
LogP1.15
Rot. Bonds

About 7-hydroxy-4-methylchromen-2-one;sulfuric acid

7-hydroxy-4-methylchromen-2-one;sulfuric acid (PubChem CID 87147508) has the molecular formula C10H10O7S and a molecular weight of 274.25 g/mol. Its IUPAC name is 7-hydroxy-4-methylchromen-2-one;sulfuric acid.

Molecular Properties

Compound Name7-hydroxy-4-methylchromen-2-one;sulfuric acid
PubChem CID87147508
Molecular FormulaC10H10O7S
Molecular Weight274.25 g/mol
Exact Mass274.01
IUPAC Name7-hydroxy-4-methylchromen-2-one;sulfuric acid
SMILESCc1cc(=O)oc2cc(O)ccc12.O=S(=O)(O)O
InChIInChI=1S/C10H8O3.H2O4S/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9;1-5(2,3)4/h2-5,11H,1H3;(H2,1,2,3,4)
InChIKeyVEZKVXROZSCZBL-UHFFFAOYSA-N
XLogP1.15
TPSA125.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

7-hydroxy-4-methylchromen-2-one;methanesulfonic acid
CID 88677960
sodium;hydride;7-hydroxy-4-methylchromen-2-one
CID 172995509
ethene-1,1,2,2-tetracarbonitrile;7-hydroxy-4-methylchromen-2-one
CID 18475292
7-hydroxy-4-methylchromen-2-one;prop-2-enoic acid
CID 87246461
sodium;7-(diethylamino)-4-methylchromen-2-one;hydride;sulfuric acid
CID 174050797
4-amino-7-hydroxychromen-2-one
CID 5403605
bis(4-methyl-2-oxochromen-7-yl) sulfate
CID 15217418
CID 89064299
CID 89064299
4-chlorobenzenesulfonic acid;4-ethyl-7-hydroxychromen-2-one
CID 88725948
(4-methyl-2-oxochromen-7-yl) trifluoromethanesulfonate
CID 59776431
4-methyl-7-(4-methylphenyl)chromen-2-one
CID 131978430
7-ethyl-4-methylchromen-2-one
CID 5160585

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-4-methylchromen-2-one;sulfuric acid?
The IUPAC name of 7-hydroxy-4-methylchromen-2-one;sulfuric acid (CID 87147508) is 7-hydroxy-4-methylchromen-2-one;sulfuric acid.
What is the SMILES notation for 7-hydroxy-4-methylchromen-2-one;sulfuric acid?
The canonical SMILES for 7-hydroxy-4-methylchromen-2-one;sulfuric acid is Cc1cc(=O)oc2cc(O)ccc12.O=S(=O)(O)O.
What is the InChIKey of 7-hydroxy-4-methylchromen-2-one;sulfuric acid?
The InChIKey is VEZKVXROZSCZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O3.H2O4S/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9;1-5(2,3)4/h2-5,11H,1H3;(H2,1,2,3,4).
What are the key properties of 7-hydroxy-4-methylchromen-2-one;sulfuric acid?
7-hydroxy-4-methylchromen-2-one;sulfuric acid has a molecular weight of 274.25 g/mol, XLogP of 1.15, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-4-methylchromen-2-one;sulfuric acid is sourced from PubChem (CID 87147508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).