AG003P7O

7554-28-1 | D-(+)-Malic acid diethyl ester

AG003P7O

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CAS Number	7554-28-1
Catalog Number	AG003P7O(AGN-PC-0OHNV9)
Chemical Name	D-(+)-Malic acid diethyl ester
IUPAC Name	diethyl (2R)-2-hydroxybutanedioate
InChI	InChI=1S/C8H14O5/c1-3-12-7(10)5-6(9)8(11)13-4-2/h6,9H,3-5H2,1-2H3/t6-/m1/s1
InChI Key	VKNUORWMCINMRB-ZCFIWIBFSA-N
MDL Number	MFCD02093483
Molecular Formula	C8H14O5
Molecular Weight	190.1938
SMILES	O=C(OCC)[C@H](O)CC(OCC)=O
Synonyms	7554-28-1, (R)-Diethyl 2-hydroxysuccinate, Diethyl D-(+)-Malate, D-(+)-Malic Acid Diethyl Ester, diethyl (2R)-2-hydroxybutanedioate, Butanedioic acid, hydroxy-, diethyl ester, (R)-, Butanedioic acid, hydroxy-, diethyl ester, (2R)-, Diethyl D-Malate, (r)-diethyl malate, (R)-Hydroxy-butanedioic Acid Diethyl Ester, Diethyl (R)-malate, Diethyl (+)-Malate, Diethyl (2R)-Malate, AI3-01727, AC1LVZO1, D-Malic Acid Diethyl Ester, SCHEMBL4388130, Diethyl (R)-2-Hydroxysuccinate, CTK8B3300, KS-00000FZN, DTXSID90226474, D-(+)-Apple Acid Diethyl Ester, ZINC2036910, ANW-42232, MFCD02093483, AKOS022185975, Hydroxy-Butanedioic Acid Diethyl Ester, DS-6572, AJ-33062, AT-25758, TR-024285, FT-0666770, M1351, ST24035537, 554M281, (2R)-2-Hydroxy-butanedioic Acid 1,4-Diethyl Ester, UNII-59W97T99HI component VKNUORWMCINMRB-ZCFIWIBFSA-N, Diethyl dl-malate, D- -MALICACIDDIETHYLESTER, D-(+)-MALICACIDDIETHYLESTER, C8-H14-O5, CID1715086,

Complexity	177
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	190.084g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	190.195g/mol
Monoisotopic Mass	190.084g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	72.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.1

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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