AG000JWD

123-25-1 | Butanedioic acid, 1,4-diethyl ester

AG000JWD

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CAS Number	123-25-1
Catalog Number	AG000JWD(AGN-PC-0JKLTS)
Chemical Name	Butanedioic acid, 1,4-diethyl ester
EC Number	204-612-0
FEMA Number	2377
IUPAC Name	diethyl butanedioate
InChI	InChI=1S/C8H14O4/c1-3-11-7(9)5-6-8(10)12-4-2/h3-6H2,1-2H3
InChI Key	DKMROQRQHGEIOW-UHFFFAOYSA-N
MDL Number	MFCD00009208
Molecular Formula	C8H14O4
Molecular Weight	174.1944
NSC Number	8875
RTECS Number	WM7400000
SMILES	O=C(OCC)CCC(OCC)=O
UNII	ELP55C13DR
Synonyms	diethyl succinate, DIETHYL SUCCINATE, 123-25-1, Diethyl butanedioate, Ethyl succinate, Butanedioic acid, diethyl ester, 1,4-diethyl butanedioate, Succinic acid diethyl ester, Succinic acid, diethyl ester, Diethyl ethanedicarboxylate, UNII-ELP55C13DR, Diethylester kyseliny jantarove, FEMA No. 2377, DIETHYLSUCCINATE, NSC 8875, Diethyl succinate, 98%, EINECS 204-612-0, Butanedioic acid, 1,4-diethyl ester, MFCD00009208, Diethylester kyseliny jantarove [Czech], BRN 0907645, ELP55C13DR, butanedioic acid diethyl ester, AI3-00682, Diethyl ester of butanedioic acid, DKMROQRQHGEIOW-UHFFFAOYSA-N, diethyl butane-1,4-dioate, Butanedioic acid, di-C8-26-alkyl esters, Diethyl butanoate, Succinic acid diethyl, (C8-C26) Alkylalcohol succinate diester, Diethylsuccinate (DES), ACMC-209aod, Succinic acid-diethyl ester, AC1L1L8G, AC1Q5H4E, DSSTox_CID_18732, DSSTox_RID_79389, DSSTox_GSID_38732, SCHEMBL22780, WLN: 2OV2VO2, 4-02-00-01914 (Beilstein Handbook Reference), 68989-32-2, KSC177S0F, AC1Q34R0, CHEMBL369243, DTXSID2038732, CTK0H7902, KS-00000WAT, NSC8875, NSC-8875, ZINC1648294, Tox21_300286, ANW-18107, SBB040923, STL194305, Diethyl succinate, analytical standard, AKOS000269055, ACN-051076, DS-7133, LS-2664, MCULE-1960920420, NE10638, RP23631, TRA0033776, Diethyl succinate, >=99%, FCC, FG, NCGC00247986-01, NCGC00253946-01, AJ-28743, AK151972, AN-22908, CAS-123-25-1, Diethyl succinate, natural, >=99%, FG, Diethyl succinate, ReagentPlus(R), 99%, SC-80004, RT-000721, ST2406795, FT-0653029, S0103, ST50214529, EN300-18004, Diethyl succinate, Vetec(TM) reagent grade, 98%, I14-1180, Q-100106, Z57127474, F0001-0363, InChI=1/C8H14O4/c1-3-11-7(9)5-6-8(10)12-4-2/h3-6H2,1-2H, Clorius, Clorius (VAN), SUCCINATE, DIETHYL, . DIETHYL SUCCINATE, C8H14O4, CID31249, C8-H14-O4, Diethyl succinate, 99% - 25G 25g, Diethyl Succinate 99% for synthesis 500ml, C1472, Butanedioic acid, diethyl ester; (Succinic acid, diethyl ester),

Complexity	135
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	174.089g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	174.196g/mol
Monoisotopic Mass	174.089g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	52.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

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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