AG001AW2

13937-08-1 | Propanedioic acid, 2-hydroxy-, 1,3-diethyl ester

AG001AW2

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CAS Number	13937-08-1
Catalog Number	AG001AW2(AGN-PC-0JMQUU)
Chemical Name	Propanedioic acid, 2-hydroxy-, 1,3-diethyl ester
IUPAC Name	diethyl 2-hydroxypropanedioate
InChI	InChI=1S/C7H12O5/c1-3-11-6(9)5(8)7(10)12-4-2/h5,8H,3-4H2,1-2H3
InChI Key	VXZQTXSCMRPKMH-UHFFFAOYSA-N
MDL Number	MFCD04038932
Molecular Formula	C7H12O5
Molecular Weight	176.1672
SMILES	O=C(OCC)C(O)C(OCC)=O
Synonyms	Diethyl 2-hydroxymalonate, 13937-08-1, Propanedioic acid, hydroxy-, diethyl ester, 1,3-diethyl 2-hydroxypropanedioate, 2-hydroxy-malonic acid diethyl ester, 2-Hydroxy diethyl malonate, Propanedioic acid,2-hydroxy-, 1,3-diethyl ester, diethyl 2-hydroxypropanedioate, diethyl tartronate, AC1L3FBG, Diethyl=2-hydroxymalonate, SCHEMBL1249258, CTK4C1784, DTXSID10161030, ZINC2525542, ZX-AT005307, Diethyl 2-hydroxypropane-1,3-dioate, MFCD04038932, AKOS017343318, OR10853, RP23771, AJ-37454, K-4506, Propanedioic acid,2-hydroxy-,1,3-diethyl ester, Propanedioic acid, 2-hydroxy-, 1,3-diethyl ester, CID139648, 37555-99-0,

Complexity	147
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	176.068g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	176.168g/mol
Monoisotopic Mass	176.068g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	72.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number