AG00EYJT

6149-45-7 | 3-Hydroxy-3-methylbutanoic acid methyl ester

AG00EYJT

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CAS Number	6149-45-7
Catalog Number	AG00EYJT(AGN-PC-0JSACB)
Chemical Name	3-Hydroxy-3-methylbutanoic acid methyl ester
IUPAC Name	methyl 3-hydroxy-3-methylbutanoate
InChI	InChI=1S/C6H12O3/c1-6(2,8)4-5(7)9-3/h8H,4H2,1-3H3
InChI Key	JNURPEZKOSMRMZ-UHFFFAOYSA-N
MDL Number	MFCD29054934
Molecular Formula	C6H12O3
Molecular Weight	132.1577
SMILES	CC(C)(O)CC(OC)=O
Synonyms	Methyl 3-hydroxy-3-methylbutanoate, 6149-45-7, Butyric acid, 3-hydroxy-3-methyl-, methyl ester, Butanoic acid, 3-hydroxy-3-methyl-, methyl ester, JNURPEZKOSMRMZ-UHFFFAOYSA-N, 3-Hydroxy-3-methylbutanoic acid methyl ester, AC1LAWC6, methyl beta-hydroxyisovalerate, SCHEMBL585604, CTK2D8863, DTXSID10334808, methyl 3-hydroxy-3-methylbutyrate, Methyl 3-methyl 3-hydroxybutanoate, (CH3)2C(OH)CH2C(O)OCH3, MFCD29054934, ZINC12153755, AKOS033848808, methyl beta-hydroxy-beta-methylbutyrate, .beta.-Hydroxyisovaleric acid, methyl ester, AK00739501, 3-hydroxy-3-methyl-butyric acid methyl ester, Z2284431535, CID521979, 3-Hydroxy-3-methylbutanoicacidmethylester, Methyl 2,2-dimethyl-3-hydroxypropionate,

Complexity	107
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	132.079g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	132.159g/mol
Monoisotopic Mass	132.079g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H227-H315-H319-H335
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

Lot Number