AG003FBT

597-43-3 | Butanedioic acid, 2,​2-​dimethyl-

AG003FBT

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CAS Number	597-43-3
Catalog Number	AG003FBT(AGN-PC-0WA5HX)
Chemical Name	Butanedioic acid, 2,​2-​dimethyl-
EC Number	209-899-6
IUPAC Name	2,2-dimethylbutanedioic acid
InChI	InChI=1S/C6H10O4/c1-6(2,5(9)10)3-4(7)8/h3H2,1-2H3,(H,7,8)(H,9,10)
InChI Key	GOHPTLYPQCTZSE-UHFFFAOYSA-N
MDL Number	MFCD00004196
Molecular Formula	C6H10O4
Molecular Weight	146.1412
NSC Number	408419
SMILES	C(CC(=O)O)(C(=O)O)(C)C
UNII	MX6TVR2107
Synonyms	2,2-dimethylsuccinate, 2,2-dimethylsuccinic acid, 2,2-DIMETHYLSUCCINIC ACID, 597-43-3, 2,2-Dimethylbutanedioic acid, 2,2-dimethyl-succinic acid, UNII-MX6TVR2107, 2,2-dimethyl-butanedioic acid, Succinic acid, 2,2-dimethyl-, Butanedioic acid, 2,2-dimethyl-, MX6TVR2107, CHEBI:86537, GOHPTLYPQCTZSE-UHFFFAOYSA-N, MFCD00004196, 2,2-dimethylbutanedioate, 2,2-dimethyl-Butanedioicacid, EINECS 209-899-6, 2,2,-Dimethylsuccinate, 2,2-Dimethyl Succinate, AI3-23398, AC1L1XXO, 2,2-DimethylsuccinicAcid, ACMC-1AO5S, DSSTox_CID_1581, 3,3-dimethylsuccinic acid, bmse000730, Succinic acid,2-dimethyl-, Butanedioic acid, dimethyl-, 3,3-dimethyl succinic acid, DSSTox_RID_76218, NCIOpen2_003737, 2,2-Dimethyl Succinic acid, DSSTox_GSID_21581, SCHEMBL83915, Butanedioic acid,2-dimethyl-, KSC107K8P, alpha,alpha-Dimethyl-succinate, CHEMBL3186607, DTXSID6021581, CTK0A7587, GOHPTLYPQCTZSE-UHFFFAOYSA-, 2,2-Dimethylsuccinic acid, 99%, alpha,alpha-Dimethyl-succinic acid, ZINC388596, BCP21929, EBD37884, KS-00000CG0, Tox21_200524, 2,2-Dimethyl-1,4-butanedioic Acid, 2,2-Dimethylbutane-1,4-dioic acid, alpha,alpha-DIMETHYLSUCCINIC ACID, ANW-33332, LMFA01170080, NSC408419, SBB061664, AKOS006223264, CS-W016357, MCULE-7005043054, NSC-408419, RTR-020695, TRA0009141, .alpha.,.alpha.-Dimethyl-succinic acid, NCGC00248673-01, NCGC00258078-01, AJ-20706, AK-47302, AN-46267, AS-11768, BR-47302, CAS-597-43-3, SC-26972, SY004631, AB0010709, DB-053454, ST2408992, TL8003798, TR-020695, AM20100456, D2184, FT-0609281, ST50824012, MFCD00004196 (98%), M-3253, I04-1049, W-105303, 85FE409E-9BD6-45AA-A2F5-584C873578C0, InChI=1/C6H10O4/c1-6(2,5(9)10)3-4(7)8/h3H2,1-2H3,(H,7,8)(H,9,10), 174024-70-5, 2,2-dimethylsuccinate, C6H10O4, CID11701, C6-H10-O4, 3-HYDROXY-2,2-DIMETHYLPROPIONALDEHYDE, A8381, 2,2-Dimethylsuccinic acid, 99% - 25G 25g, C473110, 2,2-Dimethylbutanedioic acid 2,2-Dimethylsuccinic acid,

Complexity	159
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	146.058g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	146.142g/mol
Monoisotopic Mass	146.058g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	74.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.2

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

Lot Number