AG001VPE

16156-59-5 | Methanesulfonic acid, phenyl ester

AG001VPE

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CAS Number	16156-59-5
Catalog Number	AG001VPE(AGN-PC-006IB8)
Chemical Name	Methanesulfonic acid, phenyl ester
IUPAC Name	phenyl methanesulfonate
InChI	InChI=1S/C7H8O3S/c1-11(8,9)10-7-5-3-2-4-6-7/h2-6H,1H3
InChI Key	WXVUCMFEGJUVTN-UHFFFAOYSA-N
MDL Number	MFCD00095143
Molecular Formula	C7H8O3S
Molecular Weight	172.2016
NSC Number	243664
SMILES	CS(=O)(=O)OC1=CC=CC=C1
Synonyms	Phenyl methanesulfonate, 16156-59-5, MFCD00095143, NSC243664, phenyl methylsulfonate, phenyl methyl sulfonate, ACMC-1BS7L, Phenylmethanesulfonate (4), Phenyl methanesulfonate, 98%, SCHEMBL323791, AC1L7T94, CTK4D0894, Methanesulfonic acid,phenyl ester, DTXSID60311482, Methanesulfonic Acid Phenyl Ester, WXVUCMFEGJUVTN-UHFFFAOYSA-N, BDBM237292, Methanesulfonic acid, phenyl ester, KS-000014ZV, ZINC1764631, ANW-21944, AKOS006221855, FS-3895, MCULE-7775133043, NSC-243664, CJ-29822, TC-110689, FT-0637329, P1852, ST50411029, I01-3241, J-009840, phenylmethanesulfonate, CID316170,

Complexity	196
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	0
Isotope Atom Count	0
Molecular Weight	172.198g/mol
Monoisotopic Mass	172.019g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	51.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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