Home Other Building Blocks 4-methoxy-3-methylbutanoic acid

4-methoxy-3-methylbutanoic acid

CAS No.:
100862-21-3
Catalog Number:
AG019ZC4
Molecular Formula:
C6H12O3
Molecular Weight:
132.1577
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Product Description
Catalog Number:
AG019ZC4
Chemical Name:
4-methoxy-3-methylbutanoic acid
CAS Number:
100862-21-3
Molecular Formula:
C6H12O3
Molecular Weight:
132.1577
MDL Number:
MFCD16787591
IUPAC Name:
4-methoxy-3-methylbutanoic acid
InChI:
InChI=1S/C6H12O3/c1-5(4-9-2)3-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)
InChI Key:
IQJOSTZQDFYIJZ-UHFFFAOYSA-N
SMILES:
COCC(CC(=O)O)C
Properties
Complexity:
90.3  
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:
4  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties