AG003FBP

681-57-2 | 2,2-Dimethylpentanedioic acid

AG003FBP

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CAS Number	681-57-2
Catalog Number	AG003FBP(AGN-PC-0JKAQ0)
Chemical Name	2,2-Dimethylpentanedioic acid
EC Number	211-655-9
IUPAC Name	2,2-dimethylpentanedioic acid
InChI	InChI=1S/C7H12O4/c1-7(2,6(10)11)4-3-5(8)9/h3-4H2,1-2H3,(H,8,9)(H,10,11)
InChI Key	BTUDGPVTCYNYLK-UHFFFAOYSA-N
MDL Number	MFCD00004197
Molecular Formula	C7H12O4
Molecular Weight	160.1678
NSC Number	61979
SMILES	O=C(O)C(C)(C)CCC(O)=O
UNII	S46AMQ2G6C
Synonyms	2,2-DIMETHYLGLUTARIC ACID, 681-57-2, 2,2-Dimethylpentanedioic acid, 2,2-Dimethylglutaricacid, UNII-S46AMQ2G6C, Pentanedioic acid, dimethyl-, EINECS 211-655-9, MFCD00004197, S46AMQ2G6C, CHEBI:68459, BTUDGPVTCYNYLK-UHFFFAOYSA-N, .alpha.,.alpha.-Dimethylglutaric acid, Pentanedioic acid, 2,2-dimethyl-, dimethylglutaric acid, DSSTox_CID_1585, 2,2-dimethyl glutaric acid, 2,2-dimethyl-glutaric acid, 2.2-dimethyl-glutaric acid, DSSTox_RID_76221, DSSTox_GSID_21585, SCHEMBL68460, 2,2-Dimethylpentanedioc acid, Pentanedioic acid,2-dimethyl-, ACMC-209o28, 2,2-dimethyl-pentanedioic acid, AC1L204D, glutaric acid, 2,2-dimethyl-, CHEMBL3184301, DTXSID6021585, BTUDGPVTCYNYLK-UHFFFAOYSA-, CTK3F1282, 2,2-Dimethylpentanedioic acid #, ZINC388608, KS-000015FO, NSC61979, Tox21_200525, ANW-35454, KM1178, NSC-61979, SBB008199, 2,2-Dimethylglutaric acid, >=98%, AKOS015841125, AC-5286, FR-1051, MCULE-3722680536, RP22331, RTR-022809, TRA0069375, NCGC00248674-01, NCGC00258079-01, AJ-20708, AN-11176, CAS-681-57-2, DB-025371, LS-195278, ST2415598, TL8004790, TR-022809, A9090, D1786, FT-0609272, ST50824775, V0633, alpha,alpha-DIMETHYLGLUTARIC ACID (2,2), D-5300, I04-0846, Z1696862438, 98989-75-4, InChI=1/C7H12O4/c1-7(2,6(10)11)4-3-5(8)9/h3-4H2,1-2H3,(H,8,9)(H,10,11), C7H12O4, CID12681, C7-H12-O4, 2,2-Dimethylpentanedioic acid 2,2-Dimethylglutaric acid, 109581-93-3,

Complexity	171
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	0.7

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