AG000ZX1

13192-04-6 | Pentanedioic acid, 2-oxo-, 1,5-dimethyl ester

AG000ZX1

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CAS Number	13192-04-6
Catalog Number	AG000ZX1(AGN-PC-0JKIDZ)
Chemical Name	Pentanedioic acid, 2-oxo-, 1,5-dimethyl ester
IUPAC Name	dimethyl 2-oxopentanedioate
InChI	InChI=1S/C7H10O5/c1-11-6(9)4-3-5(8)7(10)12-2/h3-4H2,1-2H3
InChI Key	TXIXSLPEABAEHP-UHFFFAOYSA-N
MDL Number	MFCD00048052
Molecular Formula	C7H10O5
Molecular Weight	174.1513
SMILES	O=C(OC)C(CCC(OC)=O)=O
Synonyms	dimethyl alpha-ketoglutarate, Dimethyl 2-oxoglutarate, 13192-04-6, Dimethyl 2-oxopentanedioate, Dimethyl 2-Ketoglutarate, 2-Ketoglutaric Acid Dimethyl Ester, 2-OXOPENTANEDIOIC ACID, DIMETHYL ETHER, Dimethyl |A-ketoglutarate, Dimethyl 2-ketoglutaconate, Dimethyl-alpha-ketoglutarate, Pentanedioic acid, 2-oxo-, dimethyl ester, TXIXSLPEABAEHP-UHFFFAOYSA-N, 2-Oxoglutaric Acid Dimethyl Ester, 2-Oxo-pentanedioic acid dimethyl ester, AK-57734, dimethyl alpha-ketoglutarate, dimethyl oxoglutarate, Dimethyl2-oxoglutarate, Glutaric acid, 2-oxo-, dimethyl ester, ACMC-1BOV4, SCHEMBL9543, Dimethyl 2-oxopentanedioate #, Dimethyl-.alpha.-ketoglutarate, AC1L19Q3, Dimethyl 2-oxoglutarate, 96%, CTK4B7591, DTXSID10157251, 2-Oxo-glutaric acid dimethyl ester, ACN-S003088, BCP24128, KS-00000UV5, ZINC2019783, dimethyl 2-oxidanylidenepentanedioate, 2-oxopentanedioic acid dimethyl ester, 3992AJ, ANW-19398, MFCD00048052, alpha-ketoglutaric acid dimethyl ester, AKOS015851605, MCULE-4366685032, OR45005, AJ-32726, AS-47656, CC-26899, CJ-31456, SC-16687, SY004319, AB1000076, DB-007425, TC-020964, FT-0080121, FT-0612735, K0013, MFCD00048052 (95%), Pentanedioic acid,2-oxo-, 1,5-dimethyl ester, Pentanedioic acid, 2-oxo-, 1,5-dimethyl ester, 192O046, A806333, C-05812, 2-ketoglutaric acid dimethyl ester (alpha-) 95+%, I14-7598, J-006086, C7H10O5, CID25775, C541783, 2,4-DICHLORO-6,7-DIHYDROTHIENO[3,2-D]PYRIMIDINE,

Complexity	196
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	174.053g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	174.152g/mol
Monoisotopic Mass	174.053g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	69.7A^2
Undefined Atom Stereocenter Count	0
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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