AG007PQW

1187-74-2 | Diethyl 2-(2-oxopropyl)succinate

AG007PQW

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CAS Number	1187-74-2
Catalog Number	AG007PQW(AGN-PC-015IN3)
Chemical Name	Diethyl 2-(2-oxopropyl)succinate
IUPAC Name	diethyl 2-(2-oxopropyl)butanedioate
InChI	InChI=1S/C11H18O5/c1-4-15-10(13)7-9(6-8(3)12)11(14)16-5-2/h9H,4-7H2,1-3H3
InChI Key	AAPVOVKOHNCXJA-UHFFFAOYSA-N
MDL Number	MFCD00071579
Molecular Formula	C11H18O5
Molecular Weight	230.2576
SMILES	CCOC(=O)CC(CC(C)=O)C(=O)OCC
Synonyms	1187-74-2, Diethyl 2-(2-oxopropyl)succinate, Diethyl acetonylsuccinate, Acetonylsuccinic acid diethyl ester, Acetonyl succinic acid diethyl ester, CMLDBU00002588, MFCD00071579, AK-86877, Butanedioic acid, (2-oxopropyl)-, diethyl ester, Acetonyl succinic, acetonylsuccinic aci, AC1NUYLS, diethyl 2-acetonylbutanedioate, SCHEMBL3426953, CHEMBL3182026, DTXSID40420187, AAPVOVKOHNCXJA-UHFFFAOYSA-N, diethyl 2-(2-oxopropyl)succinate, KS-000001UQ, diethyl 2-(2-oxopropyl)butanedioate, ANW-58221, CMLD2_000145, 2-Acetonylsuccinic acid diethyl ester, AKOS015915409, CCG-102236, RL00726, NCGC00017825-02, NCGC00161060-01, AN-48783, AS-16102, S388, SC-71368, AB0018609, AX8112235, TC-146966, FT-0656401, 2-(2-oxo-propyl)-succinic acid diethyl ester, 2-(2-oxopropyl)butanedioic acid diethyl ester, butanedioic acid, (2-oxopropyl)-diethyl ester, diethyl 2-(2-oxidanylidenepropyl)butanedioate, 187A742, A804091, C-53439, SR-05000001225, I14-5859, J-519532, SR-05000001225-1, Diethyl 2-(2-oxopropyl)succite, C11H18O5, CID5463816, diethyl 4-oxopentane-1,2-dicarboxylate, (R)-(+)-1-(4-Bromophenyl)ethylamine, 2-Acetonilsuccinato de dietilo [Spanish], EC 413-860-0, 45791-36-4, ASE,

Complexity	259
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	230.115g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	230.26g/mol
Monoisotopic Mass	230.115g/mol
Rotatable Bond Count	9
Topological Polar Surface Area	69.7A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.3

GHS Hazard and Precautionary Statements

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

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