AG00CIV2

406913-93-7 | (2S)-1,4-Dioxan-2-yl-methanol

AG00CIV2

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CAS Number	406913-93-7
Catalog Number	AG00CIV2(AGN-PC-0OA6MK)
Chemical Name	(2S)-1,4-Dioxan-2-yl-methanol
IUPAC Name	[(2S)-1,4-dioxan-2-yl]methanol
InChI	InChI=1S/C5H10O3/c6-3-5-4-7-1-2-8-5/h5-6H,1-4H2/t5-/m0/s1
InChI Key	CMEPUAROFJSGJN-YFKPBYRVSA-N
MDL Number	MFCD16652371
Molecular Formula	C5H10O3
Molecular Weight	118.1311
SMILES	OC[C@@H]1OCCOC1
Synonyms	(S)-(1,4-Dioxan-2-yl)methanol, 406913-93-7, (2S)-1,4-DIOXAN-2-YL-METHANOL, (2S)-1,4-dioxan-2-ylmethanol, 1,4-Dioxane-2-methanol, (2S)-, [(2S)-1,4-Dioxan-2-yl]methanol, (S)-2-(Hydroxymethyl)-1,4-dioxane, ((2S)-1,4-Dioxan-2-yl)methanol, AK157556, CHEMBL232500, SCHEMBL1032884, DTXSID10659048, CMEPUAROFJSGJN-YFKPBYRVSA-N, (S)-[1,4Dioxan-2-yl-methanol, (S)-[1,4]Dioxan-2-yl-methanol, (5)-(1,4-dioxan-2-yl)methanol, 8565AH, MFCD16652371, RW4129, ZINC19090288, AKOS024262191, DS-9066, FCH1176420, SB22879, KS-0000093E, AC-29517, AJ-71381, AX8291630, ST24035678, Z-6315, 913D937, S14-2636, C5H10O3,

Complexity	64.7
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	118.063g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	118.132g/mol
Monoisotopic Mass	118.063g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	38.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.9

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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