AG003I91

220798-39-0 | (3-(Methylsulfonyl)phenyl)methanol

AG003I91

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CAS Number	220798-39-0
Catalog Number	AG003I91(AGN-PC-045285)
Chemical Name	(3-(Methylsulfonyl)phenyl)methanol
IUPAC Name	(3-methylsulfonylphenyl)methanol
InChI	InChI=1S/C8H10O3S/c1-12(10,11)8-4-2-3-7(5-8)6-9/h2-5,9H,6H2,1H3
InChI Key	XFMFNVYEANZUHC-UHFFFAOYSA-N
MDL Number	MFCD15527275
Molecular Formula	C8H10O3S
Molecular Weight	186.2282
SMILES	CS(=O)(=O)C1=CC=CC(CO)=C1
Synonyms	220798-39-0, 3-(Methylsulfonyl)benzyl alcohol, (3-(METHYLSULFONYL)PHENYL)METHANOL, Benzenemethanol, 3-(methylsulfonyl)-, (3-methanesulfonylphenyl)methanol, [3-(methylsulfonyl)phenyl]methanol, [3-(Methanesulfonyl)phenyl]methanol, ACMC-209frn, SCHEMBL646928, 3-Methylsulfonylbenzenemethanol, 3-methylsulfonyl benzyl alcohol, 3-Methanesulfonyl benzyl alcohol, CTK0J6747, DTXSID90634914, XFMFNVYEANZUHC-UHFFFAOYSA-N, (3-methanesulfonyl)phenyl methanol, (3-methanesulfonyl-phenyl)-methanol, (3-methanesulphonyl-phenyl)-methanol, ANW-24705, MFCD15527275, ZINC82046803, AKOS016001885, TRA0001972, AK100819, AS-31883, CJ-22050, SY011644, AB0066583, AJ-124498, ST2407953, TC-113450, FT-0718162, V4438, Z-4120, MFCD15527275 (97+%), C8H10O3S, ACN-031437, 1016-05-3,

Complexity	227
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	186.035g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	186.225g/mol
Monoisotopic Mass	186.035g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	62.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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