AG002ADO

2058-49-3 | 1-Propanol, 3-(methylsulfonyl)-

AG002ADO

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CAS Number	2058-49-3
Catalog Number	AG002ADO(AGN-PC-0JMXD4)
Chemical Name	1-Propanol, 3-(methylsulfonyl)-
IUPAC Name	3-methylsulfonylpropan-1-ol
InChI	InChI=1S/C4H10O3S/c1-8(6,7)4-2-3-5/h5H,2-4H2,1H3
InChI Key	XPXXXQZNUQAFQY-UHFFFAOYSA-N
MDL Number	MFCD01696727
Molecular Formula	C4H10O3S
Molecular Weight	138.1854
SMILES	CS(=O)(=O)CCCO
Synonyms	2058-49-3, 3-(Methylsulfonyl)propan-1-ol, 3-(METHYLSULFONYL)-1-PROPANOL, 1-Propanol, 3-(methylsulfonyl)-, 3-methanesulfonylpropan-1-ol, BA 2769, 3-Hydroxypropyl methyl sulfone, 3-methylsulfonylpropan-1-ol, BRN 1924645, 3-methylsulphonylpropanol, 3-hydroxypropylmethylsulfone, AC1L44BP, SCHEMBL48380, 3-methylsulphonylpropan-1-ol, 3-(methylsulfonyl)-1-propano, 3-methanesulfonyl-propan-1-ol, 1-(methylsulfonyl)propan-3-ol, ARONIS023646, Methyl(3-hydroxypropyl) sulfone, 3-(methanesulfonyl)-1-propanol, 3-(methylsulphonyl)-1-propanol, 3-(methylsulphonyl)propan-1-ol, 1-Propanol,3-(methylsulfonyl)-, CTK4E4603, DTXSID90174587, methyl-(3-hydroxypropyl) sulfone, XPXXXQZNUQAFQY-UHFFFAOYSA-N, ALBB-019158, BCP18464, KS-00000IN4, ZINC3640445, ANW-71798, MFCD01696727, SBB080434, AKOS005111084, CS-W004952, MCULE-6816358475, SB17655, TRA0082433, AJ-45191, AK-69410, CJ-10698, DS-17225, SY006812, 3-(Methylsulfonyl)-1-propanol, AldrichCPR, AB0066722, AB1000813, DB-066248, LS-122582, ST2410388, TR-009621, 4CH-003513, BB 0254414, FT-0678831, V4240, MFCD01696727 (95%), 3-(methylsulfonyl)-1-propanol(saltdata: free), K-5988, Z1138048517, 3-(Methylsulfonyl)propan-1-ol;3-(Methanesulfonyl)-1-propanol;Ba 2769, null, C4H10O3S, C4-H10-O3-S, CID200424, 100306-34-1,

Complexity	130
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	138.035g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	138.181g/mol
Monoisotopic Mass	138.035g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	62.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H317-H319
Precuationary statements	P280-P305+P351+P338
Siginal words

Certificate of Analysis

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