AG003IDG

1070-83-3 | 3,3-Dimethylbutyric acid

AG003IDG

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CAS Number	1070-83-3
Catalog Number	AG003IDG(AGN-PC-0A2LJ3)
Chemical Name	3,3-Dimethylbutyric acid
EC Number	213-982-2
IUPAC Name	3,3-dimethylbutanoic acid
InChI	InChI=1S/C6H12O2/c1-6(2,3)4-5(7)8/h4H2,1-3H3,(H,7,8)
InChI Key	MLMQPDHYNJCQAO-UHFFFAOYSA-N
MDL Number	MFCD00002715
Molecular Formula	C6H12O2
Molecular Weight	116.1583
NSC Number	4537
SMILES	C(C(C)(C)C)C(O)=O
UNII	Q80K0TZQ55
Synonyms	3,3-DIMETHYLBUTYRIC ACID, 1070-83-3, 3,3-Dimethylbutanoic acid, tert-Butylacetic acid, t-Butylacetic acid, Butanoic acid, 3,3-dimethyl-, 3,3-dimethyl-butanoic acid, UNII-Q80K0TZQ55, Butyric acid, 3,3-dimethyl-, MFCD00002715, 3,3-dimethyl-butyric acid, 3,3-Dimethyl-n-butyric acid, Q80K0TZQ55, CHEBI:38647, MLMQPDHYNJCQAO-UHFFFAOYSA-N, tert-Butylacetic acid, 98%, tert-Butyric acid, tertbutylacetic acid, NSC 4537, EINECS 213-982-2, AI3-19252, Butyric acid,3-dimethyl-, ACMC-1BOY1, Butanoic acid,3-dimethyl-, (CH3)3CCH2COOH, AC1Q1MI0, 3,3-dimethyl butanoic acid, SCHEMBL71379, KSC179I7N, Butanoicacid, 3,3-dimethyl-, 3,3,3-trimethylpropionic acid, Jsp000630, CHEMBL1232385, DTXSID0061450, CTK0H9476, DES-AMINO T-BUTYL GLYCINE, NSC4537, 3,3-Dimethylbutyric acid, 98%, ZINC388597, AC1L2318, ACT06987, BCP21764, NSC-4537, STR03445, ANW-15478, LMFA01020079, SBB061347, STL168054, AKOS000119558, Butyric acid, 3,3-dimethyl- (8CI), CS-W013611, MCULE-8746589287, RP19231, RTR-001382, TRA0075772, AJ-20707, AK-46605, AN-48392, BC200722, BR-46605, L406, SC-22389, DB-040729, ST2410228, TR-001382, AM20080023, B0826, FT-0614077, ST51047370, M-6128, 79371-EP2305695A2, 79371-EP2305696A2, 79371-EP2305697A2, 79371-EP2305698A2, I04-0542, J-511082, F2191-0081, Z1258948131, InChI=1/C6H12O2/c1-6(2,3)4-5(7)8/h4H2,1-3H3,(H,7,8, 3,3-Dimethylbutansaure, C6H12O2, CID14057, C6-H12-O2, 3,3-dimethylbutyric acid, 98% 25g, FA(6:0), 3,3-Dimethylbutyric acid, 98% - 100G 100g,

Complexity	89.2
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	116.084g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	116.16g/mol
Monoisotopic Mass	116.084g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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