AG003IDI

4839-46-7 | Pentanedioic acid, 3,3-dimethyl-

AG003IDI

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CAS Number	4839-46-7
Catalog Number	AG003IDI(AGN-PC-0JKFM5)
Chemical Name	Pentanedioic acid, 3,3-dimethyl-
EC Number	225-425-0
IUPAC Name	3,3-dimethylpentanedioic acid
InChI	InChI=1S/C7H12O4/c1-7(2,3-5(8)9)4-6(10)11/h3-4H2,1-2H3,(H,8,9)(H,10,11)
InChI Key	DUHQIGLHYXLKAE-UHFFFAOYSA-N
MDL Number	MFCD00002716
Molecular Formula	C7H12O4
Molecular Weight	160.1678
SMILES	C(C(CC(=O)O)(C)C)C(=O)O
Synonyms	3,3-dimethylglutarate, 3,3-DIMETHYLGLUTARIC ACID, 3,3-Dimethylpentanedioic acid, 4839-46-7, Pentanedioic acid, 3,3-dimethyl-, 3,3-Dimethylglutarate, MFCD00002716, 3,3-dimethyl-pentanedioic acid, .beta.,.beta.-Dimethylglutaric acid, NSC 14987, NSC 49114, 3,3-dimethyl-glutaric acid, 3,3-Dimethylpentaneodioic acid, CHEBI:68502, DUHQIGLHYXLKAE-UHFFFAOYSA-N, 3,3-Dimethylglutaric acid, 98%, Glutaric acid,3-dimethyl-, Pentanedioic acid,3-dimethyl-, SMR000639427, beta,beta-Dimethylglutaric acid, Glutaric acid, 3,3-dimethyl-, EINECS 225-425-0, b,b-Dimethylglutarate, ACMC-1APXM, AI3-62519, AC1L2HDX, b,b-Dimethylglutaric acid, SCHEMBL48109, KSC236I3L, MLS001075162, MLS001075437, CHEMBL1605317, DTXSID9063617, CTK1D6435, HMS2205F12, HMS3341L14, ZINC388609, KS-00000L0G, NSC14987, NSC49114, ANW-30659, beta, beta-DIMETHYLGLUTARIC ACID, LMFA01170086, NSC-14987, NSC-49114, SBB069130, AKOS000121047, AC-8755, AN-7683, CS-W008097, Glutaric acid, 3,3-dimethyl- (8CI), MCULE-3688310273, RTR-017687, TRA0069325, VZ34855, NCGC00247443-01, NCGC00247443-02, AJ-20709, AK-45890, AS-15975, BC679580, R619, SY017986, ST2417220, TR-017687, AM20100198, beta,beta-DIMETHYLGLUTARIC ACID (3,3), D1322, FT-0614079, ST45026746, MFCD00002716 (98%), M-5499, paragraph signthorn(1/4)x>>u(1)E degrees +/-Ea, S04-0144, W-106049, Z271138110, 3,3-dimethylpentanedioate, |A,|A-dimethylglutaric acid, C7H12O4, CID20984, C7-H12-O4, 3,3-Dimethylglutaric acid, 99% - 100G 100g,

Complexity	153
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	160.074g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	160.169g/mol
Monoisotopic Mass	160.074g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	74.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.4

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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