Home Other Building Blocks methyl 3-hydroxy-2-methylbutanoate

methyl 3-hydroxy-2-methylbutanoate

CAS No.:
34293-67-9
Catalog Number:
AG01A1WI
Molecular Formula:
C6H12O3
Molecular Weight:
132.1577
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Product Description
Catalog Number:
AG01A1WI
Chemical Name:
methyl 3-hydroxy-2-methylbutanoate
CAS Number:
34293-67-9
Molecular Formula:
C6H12O3
Molecular Weight:
132.1577
MDL Number:
MFCD16749243
IUPAC Name:
methyl 3-hydroxy-2-methylbutanoate
InChI:
InChI=1S/C6H12O3/c1-4(5(2)7)6(8)9-3/h4-5,7H,1-3H3
InChI Key:
FFJMPYODEQVBEX-UHFFFAOYSA-N
SMILES:
COC(=O)C(C(O)C)C
Properties
Complexity:
101  
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:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Literature
Title Journal
Simple gas chromatographic method for the stereodifferentiation of methyl nilate, a chiral alpha-methyl-beta-hydroxy ester. Journal of chromatography. A 20060310
Properties