Home Other Building Blocks 2-methoxy-3-methylbutanoic acid

2-methoxy-3-methylbutanoic acid

CAS No.:
66018-25-5
Catalog Number:
AG01AD05
Molecular Formula:
C6H12O3
Molecular Weight:
132.1577
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Product Description
Catalog Number:
AG01AD05
Chemical Name:
2-methoxy-3-methylbutanoic acid
CAS Number:
66018-25-5
Molecular Formula:
C6H12O3
Molecular Weight:
132.1577
IUPAC Name:
2-methoxy-3-methylbutanoic acid
InChI:
InChI=1S/C6H12O3/c1-4(2)5(9-3)6(7)8/h4-5H,1-3H3,(H,7,8)
InChI Key:
CRNWYNSIQHMCOB-UHFFFAOYSA-N
SMILES:
COC(C(=O)O)C(C)C
Properties
Complexity:
98.5  
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:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties