AG003BCO

66749-60-8 | (+)-Diacetyl-D-tartaric Acid

AG003BCO

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CAS Number	66749-60-8
Catalog Number	AG003BCO(AGN-PC-0TLYPK)
Chemical Name	(+)-Diacetyl-D-tartaric Acid
IUPAC Name	(2S,3S)-2,3-diacetyloxybutanedioic acid
InChI	InChI=1S/C8H10O8/c1-3(9)15-5(7(11)12)6(8(13)14)16-4(2)10/h5-6H,1-2H3,(H,11,12)(H,13,14)/t5-,6-/m0/s1
InChI Key	DNISEZBAYYIQFB-WDSKDSINSA-N
MDL Number	MFCD02093460
Molecular Formula	C8H10O8
Molecular Weight	234.1602
SMILES	CC(=O)O[C@@H]([C@@H](C(=O)O)OC(=O)C)C(=O)O
Synonyms	66749-60-8, (-)-Diacetyl-L-tartaric Acid, (2S,3S)-2,3-Diacetoxysuccinic acid, SCHEMBL7092944, 51591-38-9, ZINC2576963, D2636, J-500054, (+)-Diacetyl-D-tartaric Acid, AC1M15DX, 2,3-Bis(acetyloxy)succinic acid, CID2063933, (2S,3S)-2,3-diacetyloxybutanedioic acid,

Complexity	288
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	234.037567g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	234.16g/mol
Monoisotopic Mass	234.037567g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	127Ų
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

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