AG001ST9

16215-14-8 | 1-​Propene, 3-​(methylsulfonyl)​-

AG001ST9

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CAS Number	16215-14-8
Catalog Number	AG001ST9(AGN-PC-0JMR3D)
Chemical Name	1-​Propene, 3-​(methylsulfonyl)​-
IUPAC Name	3-methylsulfonylprop-1-ene
InChI	InChI=1S/C4H8O2S/c1-3-4-7(2,5)6/h3H,1,4H2,2H3
InChI Key	WOPDMJYIAAXDMN-UHFFFAOYSA-N
MDL Number	MFCD16295422
Molecular Formula	C4H8O2S
Molecular Weight	120.1701
NSC Number	403680
SMILES	C(S(=O)(=O)C)C=C
Synonyms	Allyl methyl sulfone, 16215-14-8, 3-(Methylsulphonyl)-1-propene, 3-methanesulfonylprop-1-ene, 3-(Methylsulfonyl)prop-1-ene, 1-Propene, 3-(methylsulfonyl)-, Sulfone, allyl methyl, methyl allyl sulfone, Allyl methyl sulphone, 3-Methanesulfonyl-propene, 3-methylsulfonylprop-1-ene, AC1L3G4D, Allyl methyl sulfone, 96%, SCHEMBL92901, 3-(Methylsulfonyl)-1-propene, SCHEMBL12689707, DTXSID10167315, WOPDMJYIAAXDMN-UHFFFAOYSA-N, ZINC1596064, NSC403680, AKOS015948434, MCULE-8490929862, NSC-403680, AJ-27834, InChI=1/C4H8O2S/c1-3-4-7(2,5)6/h3H,1,4H2,2H, CID140048, MAS,

Complexity	138
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	120.025g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	120.166g/mol
Monoisotopic Mass	120.025g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	42.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H317
Precuationary statements	P280
Siginal words

Certificate of Analysis

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