AG003FBN

595-37-9 | 2,2-Dimethylbutanoic acid

AG003FBN

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CAS Number	595-37-9
Catalog Number	AG003FBN(AGN-PC-07A1XP)
Chemical Name	2,2-Dimethylbutanoic acid
EC Number	209-865-0
IUPAC Name	2,2-dimethylbutanoic acid
InChI	InChI=1S/C6H12O2/c1-4-6(2,3)5(7)8/h4H2,1-3H3,(H,7,8)
InChI Key	VUAXHMVRKOTJKP-UHFFFAOYSA-N
MDL Number	MFCD00004200
Molecular Formula	C6H12O2
Molecular Weight	116.1583
NSC Number	16045
SMILES	CCC(C)(C)C(O)=O
UNII	AY606CN05O
Synonyms	2,2-dimethylbutanoic acid, 2,2-dimethylbutyric acid, 2,2-DMB, HQK-1001, NSC 741804, NSC-741804, NSC741804, SDMB, sodium 2,2-dimethylbutyrate, ST-20 compound, 2,2-DIMETHYLBUTYRIC ACID, 2,2-Dimethylbutanoic acid, 595-37-9, Butanoic acid, 2,2-dimethyl-, 2,2-dimethyl-butanoic acid, 2,2-Dimethyl Butyric Acid, 2,2-Dimethyl butanoic acid, UNII-AY606CN05O, Butyric acid, 2,2-dimethyl-, dimethyl ethyl acetic acid, MFCD00004200, 2,2-dimethyl-butyric acid, AY606CN05O, CHEBI:38649, VUAXHMVRKOTJKP-UHFFFAOYSA-N, .alpha.,.alpha.-Dimethylbutyric acid, 2,2'-DIMETHYL BUTANOIC ACID, .alpha.,.alpha.-Dimethylbutanoic acid, 2,2-Dimethylbutyric acid, 99%, Neohexanoic acid, 2,2-Dimethylbutyricacid, EINECS 209-865-0, dimethylethylacetic acid, ACMC-1AKEX, AC1L1XWC, AC1Q2RWA, AC1Q2RWB, Butanoic acid,2-dimethyl-, EC 209-865-0, DSSTox_CID_12811, DSSTox_RID_79038, DSSTox_GSID_32811, SCHEMBL47533, 2,2-dimethyl-n-butyric acid, KSC269I9L, MLS002174247, CHEMBL286013, alpha,alpha-Dimethylbutyric acid, DTXSID0032811, alpha,alpha-Dimethylbutanoic acid, CTK1G9495, KS-00000CHG, 2,2-Dimethylbutyric acid, 96%, HMS3039B09, ZINC404375, NSC16045, Tox21_200740, ANW-33292, LMFA01020078, NSC-16045, SBB065772, AKOS009158866, LS41203, MCULE-2539552186, NE10300, RP19234, RTC-062749, TRA0009498, NCGC00090948-01, NCGC00090948-02, NCGC00258294-01, AJ-22361, AK-54450, AN-46251, CAS-595-37-9, DS-14471, SC-15366, SMR001261422, AB0006961, DB-027513, ST2415595, TC-062749, TL8003792, D2429, FT-0609269, FT-0653122, W7237, EN300-64847, I04-0260, W-105316, Z1259161670, InChI=1/C6H12O2/c1-4-6(2,3)5(7)8/h4H2,1-3H3,(H,7,8, Butyric acid,2-dimethyl-, Dimethylbutyric acid, 2,2-, C6H12O2, CID11684, C6-H12-O2, FA(6:0), 2,2-Dimethylbutyric acid, 99% - 100G 100g, DMB,

Complexity	94.7
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	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number