AG003F3A

864265-08-7 | 2-(Methylsulfonyl)benzyl Alcohol

AG003F3A

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CAS Number	864265-08-7
Catalog Number	AG003F3A(AGN-PC-03JNTU)
Chemical Name	2-(Methylsulfonyl)benzyl Alcohol
IUPAC Name	(2-methylsulfonylphenyl)methanol
InChI	InChI=1S/C8H10O3S/c1-12(10,11)8-5-3-2-4-7(8)6-9/h2-5,9H,6H2,1H3
InChI Key	RKXFAGRISWUJGO-UHFFFAOYSA-N
MDL Number	MFCD15527274
Molecular Formula	C8H10O3S
Molecular Weight	186.2282
SMILES	C(O)c1c(S(=O)(=O)C)cccc1
Synonyms	2-(Methylsulfonyl)benzyl Alcohol, 864265-08-7, (2-(Methylsulfonyl)phenyl)methanol, 2-(methylsulfonyl)Benzenemethanol, [2-(Methanesulfonyl)phenyl]methanol, SCHEMBL506623, 2-(Methylsulfonyl)benzylAlcohol, (2-methylsulfonylphenyl)methanol, CTK8E1705, (2-Methanesulfonylphenyl)methanol, DTXSID60622025, RKXFAGRISWUJGO-UHFFFAOYSA-N, (2-methanesulfonyl-phenyl)methanol, (2-Methanesulfonylphenyl)-methanol, KS-000008YS, 5302AJ, KM2407, ZINC90728171, AKOS022179382, TRA0080839, AS-32007, SY014817, DB-023598, TC-306882, FT-0743047, MFCD15527274 (97+%), C8H10O3S, AJ-129171, 35196-11-3, 101395-71-5,

Complexity	227
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	186.035065g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	186.23g/mol
Monoisotopic Mass	186.035065g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	62.8Ų
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
UN Code

Certificate of Analysis

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