AG001F23

14763-61-2 | PHENOL, 3-(METHYLSULFONYL)-

AG001F23

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CAS Number	14763-61-2
Catalog Number	AG001F23(AGN-PC-0JU63U)
Chemical Name	PHENOL, 3-(METHYLSULFONYL)-
IUPAC Name	3-methylsulfonylphenol
InChI	InChI=1S/C7H8O3S/c1-11(9,10)7-4-2-3-6(8)5-7/h2-5,8H,1H3
InChI Key	MRZXZRGNTXHLKA-UHFFFAOYSA-N
MDL Number	MFCD11839805
Molecular Formula	C7H8O3S
Molecular Weight	172.2016
SMILES	OC1=CC=CC(S(=O)(C)=O)=C1
Synonyms	3-(methylsulfonyl)phenol, 3-methanesulfonylphenol, 14763-61-2, 3-METHANESULFONYL-PHENOL, phenol, 3-(methylsulfonyl)-, 3-Mesylphenol, 3-methylsulfonylphenol, AC1LCUGZ, AC1Q4GHD, SCHEMBL35222, CTK0E9050, DTXSID40348453, MRZXZRGNTXHLKA-UHFFFAOYSA-N, 2313AJ, BENZENE,1-HYDROXY,3-METHYLSULFONYL PHENOL,3-METHYLSULFONYL, MFCD11839805, ZINC32296854, AKOS022710506, MCULE-6634689309, AJ-85178, BS-13496, EN300-41302, Z-5712, Z426041546, InChI=1/C7H8O3S/c1-11(9,10)7-4-2-3-6(8)5-7/h2-5,8H,1H, C7H8O3S, CID637556,

Complexity	214
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	172.019g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	172.198g/mol
Monoisotopic Mass	172.019g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	62.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number