2-Oxo-2H-1-benzopyran-6-sulphonic acid supplier

Name
2-Oxo-2H-1-benzopyran-6-sulphonic acid
EINECS 248-385-6
CAS No. 27279-86-3
Density 1.617 g/cm³
Solubility
Melting Point
Formula C₉H₆O₅S
Boiling Point
Molecular Weight 226.21
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2H-1-Benzopyran-6-sulfonic acid, 2-oxo-;2-Oxo-2H-chromene-6-sulfonic acid;
PSA 92.96000
LogP 2.12050

2-Oxo-2H-1-benzopyran-6-sulphonic acid Specification

The 2-Oxo-2H-1-benzopyran-6-sulphonic acid, with the CAS registry number 27279-86-3, is also known as 2H-1-Benzopyran-6-sulfonic acid, 2-oxo-. Its EINECS number is 248-385-6. This chemical's molecular formula is C₉H₆O₅S and molecular weight is 226.21. What's more, its systematic name is 2-Oxo-2H-chromene-6-sulfonic acid.

Physical properties of 2-Oxo-2H-1-benzopyran-6-sulphonic acid are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 5; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 78.05 Å²; (10)Index of Refraction: 1.645; (11)Molar Refractivity: 50.7 cm³; (12)Molar Volume: 139.8 cm³; (13)Polarizability: 20.1×10^-24cm³; (14)Surface Tension: 67.2 dyne/cm; (15)Density: 1.617 g/cm³.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC2=C(C=CC(=O)O2)C=C1S(=O)(=O)O
(2)InChI: InChI=1S/C9H6O5S/c10-9-4-1-6-5-7(15(11,12)13)2-3-8(6)14-9/h1-5H,(H,11,12,13)
(3)InChIKey: SXOYTVCGDVNJOF-UHFFFAOYSA-N

Product Name

2-Oxo-2H-1-benzopyran-6-sulphonic acid

2-Oxo-2H-1-benzopyran-6-sulphonic acid Specification

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