AG0033HL

815-17-8 | 3,3-Dimethyl-2-oxobutanoic acid

AG0033HL

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CAS Number	815-17-8
Catalog Number	AG0033HL(AGN-PC-0JKB0C)
Chemical Name	3,3-Dimethyl-2-oxobutanoic acid
EC Number	212-418-2
IUPAC Name	3,3-dimethyl-2-oxobutanoic acid
InChI	InChI=1S/C6H10O3/c1-6(2,3)4(7)5(8)9/h1-3H3,(H,8,9)
InChI Key	IAWVHZJZHDSEOC-UHFFFAOYSA-N
MDL Number	MFCD00154352
Molecular Formula	C6H10O3
Molecular Weight	130.1418
NSC Number	16648
SMILES	CC(C(C(=O)O)=O)(C)C
UNII	29CL615CLH
Synonyms	815-17-8, 3,3-Dimethyl-2-oxobutyric acid, 3,3-Dimethyl-2-oxobutanoic acid, TRIMETHYLPYRUVIC ACID, Butanoic acid, 3,3-dimethyl-2-oxo-, Pyruvic acid, trimethyl-, 3,3-Dimethyl-2-oxo-butanoic acid, Glyoxylic acid, tert-butyl-, UNII-29CL615CLH, Butyric acid, 3,3-dimethyl-2-oxo-, 29CL615CLH, MFCD00154352, NSC-16648, tert-Butylglyoxylic acid, Trimethlpyruvic acid, EINECS 212-418-2, NSC 16648, Trimethylpyruvic acid., PubChem14270, ACMC-1BJEQ, Trimethylbrenztraubensaure, AI3-11509, DSSTox_CID_7314, DSSTox_RID_78403, DSSTox_GSID_27314, KSC448A7P, SCHEMBL271740, 3,3-Dimethyl-2-oxobutanoic a, CHEMBL3182620, DTXSID9027314, 3,3-dimethyl-2-oxo-butanoicaci, Butyric acid,3-dimethyl-2-oxo-, CTK3E8077, Trimethylpyruvic acid, AldrichCPR, Butanoic acid,3-dimethyl-2-oxo-, IAWVHZJZHDSEOC-UHFFFAOYSA-N, 3,3-dimethyl-2-oxo butyric acid, AC1L2153, ACT03381, BCP18772, NSC16648, ZINC1747147, Tox21_301454, ANW-37449, BBL101707, QC-391, SBB065803, SC1212, STL555503, AKOS006223638, CS-W005305, MCULE-2891266778, NE11308, RP19905, RTR-025622, KS-00000H86, NCGC00255112-01, AJ-31432, AK-98836, AN-47656, AS-54581, BC201770, CAS-815-17-8, SC-75151, U073, 3,3-dimethyl-2-oxidanylidene-butanoic acid, TL8006696, TR-025622, D3609, FT-0657523, ST24041111, EN300-76124, A840151, I04-0416, Q-201887, Z1270384364, trimethyl pyruvic acid, HSDB 5757, 3,3-Dimethyl-2-oxobutyic acid, C6H10O3, CID13150, C6-H10-O3,

Complexity	141
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	130.063g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	130.143g/mol
Monoisotopic Mass	130.063g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	54.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 3265

Certificate of Analysis

Lot Number