AG00382P

10420-33-4 | Dimethyl acetylsuccinate

AG00382P

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CAS Number	10420-33-4
Catalog Number	AG00382P(AGN-PC-0JLI8X)
Chemical Name	Dimethyl acetylsuccinate
EC Number	233-897-4
IUPAC Name	dimethyl 2-acetylbutanedioate
InChI	InChI=1S/C8H12O5/c1-5(9)6(8(11)13-3)4-7(10)12-2/h6H,4H2,1-3H3
InChI Key	XREKLQOUFWBSFH-UHFFFAOYSA-N
MDL Number	MFCD00008448
Molecular Formula	C8H12O5
Molecular Weight	188.1779
SMILES	C(C)(=O)C(C(=O)OC)CC(=O)OC
Synonyms	Dimethyl acetylsuccinate, 10420-33-4, Dimethyl 2-acetylsuccinate, Acetylsuccinic Acid Dimethyl Ester, Butanedioic acid, acetyl-, dimethyl ester, 1,4-dimethyl 2-acetylbutanedioate, dimethyl 2-acetylbutanedioate, DMAS, XREKLQOUFWBSFH-UHFFFAOYSA-N, Butanedioic acid, 2-acetyl-, 1,4-dimethyl ester, MFCD00008448, EINECS 233-897-4, doimethyl acetylsuccinate, ACMC-1BWLE, dimethyl acetyl-succinate, AC1L3ALA, AC1Q5YPX, EC 233-897-4, AC1Q43ZJ, DSSTox_CID_21692, DSSTox_RID_79822, DSSTox_GSID_41692, Dimethyl 2-acetylsuccinate #, KSC492S5T, SCHEMBL446634, Dimethylacetylsuccinate (DMAS), Jsp000421, acetyl-butanedioicacidimethylester, CHEMBL3184248, DTXSID0041692, CTK3J2959, XREKLQOUFWBSFH-UHFFFAOYSA-, acetyl-butanedioicaciddimethylester, butandioic acid acetyl-dimethylester, dimethyl 2-acetylbutane-1,4-dioate, Tox21_300972, ANW-15044, BBL027712, STL308407, AKOS009158265, butanedioic acid, acetyl-dimethyl ester, MCULE-1185563677, NE10582, VZ35998, NCGC00248237-01, NCGC00254875-01, AS-15166, O317, SC-47203, CAS-10420-33-4, RT-001153, ST2406804, 2-Acetylbutanedioic acid-1,4-dimethyl ester, FT-0621836, ST45021953, EN300-36667, KS-00000157, W-108821, I14-17803, F0001-0096, InChI=1/C8H12O5/c1-5(9)6(8(11)13-3)4-7(10)12-2/h6H,4H2,1-3H3, dimethylacetylsuccinate, UNII-LOE57K9I2C, Dimethyl 2-acetylsuccite, LOE57K9I2C, C8H12O5, AR-1I5471, C8-H12-O5, CID112039, A1143, 104761-64-0,

Complexity	221
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	188.068g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	188.179g/mol
Monoisotopic Mass	188.068g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	69.7A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	-0.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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