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Benzenemethanesulfonicacid, a-hydroxy-4-methoxy-

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  • Name Benzenemethanesulfonicacid, a-hydroxy-4-methoxy-
  • EINECS201-326-8
  • CAS No. 81-12-9
  • Density1.489 g/cm3
  • PSA92.21000
  • LogP1.65470
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC8H10O5S
  • Boiling PointN/A
  • Molecular Weight218.227
  • Flash PointN/A
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 81-12-9 (alpha-hydroxy-p-methoxytoluene-alpha-sulphonic acid)
  • Hazard SymbolsN/A
  • SynonymsN/A

Benzenemethanesulfonicacid, a-hydroxy-4-methoxy- Specification

The CAS register number of Benzenemethanesulfonicacid, a-hydroxy-4-methoxy- is 81-12-9. It also can be called as α-Hydroxy-4-methoxybenzenemethanesulfonic acid and the IUPAC name about this chemical is hydroxy-(4-methoxyphenyl)methanesulfonic acid. The molecular formula about this chemical is C8H10O5S and the molecular weight is 218.227.

Physical properties about Benzenemethanesulfonicacid, a-hydroxy-4-methoxy- are: (1)ACD/LogP: -0.82; (2)ACD/LogD (pH 5.5): -4.29; (3)ACD/LogD (pH 7.4): -4.32; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 70.21 Å2; (12)Index of Refraction: 1.592; (13)Molar Refractivity: 49.61 cm3; (14)Molar Volume: 146.5 cm3; (15)Polarizability: 19.66x10-24cm3; (16)Surface Tension: 64.9 dyne/cm; (17)Density: 1.489 g/cm3.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)C(O)c1ccc(OC)cc1
(2)InChI: InChI=1/C8H10O5S/c1-13-7-4-2-6(3-5-7)8(9)14(10,11)12/h2-5,8-9H,1H3,(H,10,11,12)
(3)InChIKey: NDMUEXKPRHMWRH-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C8H10O5S/c1-13-7-4-2-6(3-5-7)8(9)14(10,11)12/h2-5,8-9H,1H3,(H,10,11,12)
(5)Std. InChIKey: NDMUEXKPRHMWRH-UHFFFAOYSA-N

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