AG003BC3

50622-09-8 | 1,​3-​Dioxolane-​4,​5-​dimethanol, 2,​2-​dimethyl-​, (4S,​5S)​-

AG003BC3

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CAS Number	50622-09-8
Catalog Number	AG003BC3(AGN-PC-0OBDGQ)
Chemical Name	1,​3-​Dioxolane-​4,​5-​dimethanol, 2,​2-​dimethyl-​, (4S,​5S)​-
EC Number	256-658-6
IUPAC Name	[(4S,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
InChI	InChI=1S/C7H14O4/c1-7(2)10-5(3-8)6(4-9)11-7/h5-6,8-9H,3-4H2,1-2H3/t5-,6-/m0/s1
InChI Key	INVRLGIKFANLFP-WDSKDSINSA-N
MDL Number	MFCD00063761
Molecular Formula	C7H14O4
Molecular Weight	162.1837
SMILES	C(O)[C@H]1[C@H](CO)OC(O1)(C)C
Synonyms	50622-09-8, (+)-2,3-O-Isopropylidene-L-threitol, ((4S,5S)-2,2-dimethyl-1,3-dioxolane-4,5-diyl)dimethanol, 2,3-o-isopropylidene-l-threitol, MFCD00063761, (+)-2,3,O-Isopropylidene-L-threitol, [(4S,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol, (4S,5S)-2,2-Dimethyl-1,3-dioxolane-4,5-dimethanol, (4S,5S)-(+)-4,5-Bis(hydroxymethyl)-2,2-dimethyl-1,3-dioxolane, PubChem19000, AC1LFX3Q, SCHEMBL292538, AC1Q77R3, 2,3-O-Isoproylidene-L-threitol, INVRLGIKFANLFP-WDSKDSINSA-N, 1,3-Dioxolane-4,5-dimethanol, 2,2-dimethyl-, (4S,5S)-, ZINC281673, KS-000014OQ, 2-O,3-O-Isopropylidene-L-threitol, AKOS015899228, Oi)-2,3-O-isopropylidene-L-threitol, AJ-18805, N795, ZB010130, FT-0600463, I0376, ST50307152, 622O098, I14-11962, 1,3-Dioxolane-4,5-dimethanol,2,2-dimethyl-, (4S,5S)-, (4S,5S)-(+)-2,2-Dimethyl-1,3-dioxolane-4,5-dimethanol, (4S,5S)-4,5-Bis(hydroxymethyl)-2,2-dimethyl-1,3-dioxolane, (4S,5S)-4,5-BIS-(HYDROXYMETHYL)-2,2-DIMETHYL-1,3-DIOXOLANE, [(4S,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methan-1-ol, (4S,5S)-2,2-Dimethyl-1,3-dioxolane-4,5-dimethanol, >=97.0% (sum of enantiomers, GC), C7H14O4, EINECS 256-658-6, AR-1D2807, C7-H14-O4, CID785242, NSC254136, CB10279, L-(+)-2,2-Dimethyl-1,3-dioxolane-4,5-dimethanol, 50998-20-4,

Complexity	120
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	162.089g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	162.185g/mol
Monoisotopic Mass	162.089g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	58.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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