AG0033C5

3739-30-8 | 2-Hydroxy-2-methylbutyric acid

AG0033C5

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CAS Number	3739-30-8
Catalog Number	AG0033C5(AGN-PC-0JM1AC)
Chemical Name	2-Hydroxy-2-methylbutyric acid
EC Number	223-120-7
IUPAC Name	2-hydroxy-2-methylbutanoic acid
InChI	InChI=1S/C5H10O3/c1-3-5(2,8)4(6)7/h8H,3H2,1-2H3,(H,6,7)
InChI Key	MBIQENSCDNJOIY-UHFFFAOYSA-N
MDL Number	MFCD00004476
Molecular Formula	C5H10O3
Molecular Weight	118.1311
NSC Number	9458
SMILES	OC(C(=O)O)(CC)C
Synonyms	2-hydroxy-2-methylbutyric acid, 2-Hydroxy-2-methylbutyric acid, 3739-30-8, 2-Hydroxy-2-methylbutanoic acid, 2-Hydroxy-2-methyl-n-butyric acid, Butanoic acid, 2-hydroxy-2-methyl-, 2-hydroxy-2-methyl-butyric acid, 2-Hydroxy-2-Methyl Butyric acid, 2-hydroxy-2-methyl-butanoic acid, MBIQENSCDNJOIY-UHFFFAOYSA-N, EINECS 223-120-7, AI3-18883, AC1Q5SMO, ACMC-1BN9J, 2-Hydroxy-2-methylbutyrate, AC1L3UB3, 2-hydroxy-methylbutyric acid, 2-hydroxy-2-methyl-butyrate, SCHEMBL79613, 2-Hydroxy-2-Methyl Butyrate, 2-hydroxy-2-methyl-butanoate, a-Hydroxy-a-methylbutyric acid, 2-hydroxy-2-methylbutanoicacid, 2-Hydroxy-2-methyl-n-butyrate, 2-Methyl-2-hydroxybutyric acid, a-hydroxy-a-methyl-Butyric acid, Jsp006611, CHEBI:68454, CTK4H8079, MBIQENSCDNJOIY-UHFFFAOYSA-, NSC9458, 2-hydroxy-2-ethyl-propionic acid, Butanoic acid,2-hydroxy-2-methyl-, KS-000001PR, NSC-9458, Butyric acid, 2-hydroxy-2-methyl-, ANW-28627, LMFA01050389, MFCD00004476, SBB065855, (+/-)-2-Hydroxy-2-methylbutanoate, alpha-Hydroxy-alpha-methylbutyric acid, AKOS009158750, (+/-)-a-Hydroxy-a-methylbutyric acid, 2-Hydroxy-2-methylbutyric acid, 98%, alpha-hydroxy-alpha-methyl-Butyric acid, CS-W016590, HY-W015874, TRA0127927, VZ24717, (+/-)-2-Hydroxy-2-methylbutanoic acid, (+/-)-2-Hydroxy-2-methylbutyric acid, DB-021159, TC-117372, FT-0612528, (+/-)-alpha-Hydroxy-alpha-methylbutyric acid, AB-131/40897105, I04-0582, W-106542, InChI=1/C5H10O3/c1-3-5(2,8)4(6)7/h8H,3H2,1-2H3,(H,6,7), Ambap2984, 2-Hydroxy-2-methylbutanoate, 2-Hydroxy-2-methylbutyricacid, C5H10O3, CID95433, FA(5:0(OH)), AR-1E2287, C5-H10-O3, Butanoic acid , 2-hydroxy-2-methyl-, H0636, 3-Hydroxy-4-(2-hydroxy-4-sulfo-1-naphthylazo)naphthalene-2-carboxylic acid, 3954-73-2,

Complexity	99.8
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	118.063g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	118.132g/mol
Monoisotopic Mass	118.063g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	57.5A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.3

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