Home Other Building Blocks 3-METHYL-2-(2-METHYLPROPOXY)BUTANOIC ACID

3-METHYL-2-(2-METHYLPROPOXY)BUTANOIC ACID

CAS No.:
78522-82-4
Catalog Number:
AG01EK68
Molecular Formula:
C9H18O3
Molecular Weight:
174.2374
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Product Description
Catalog Number:
AG01EK68
Chemical Name:
3-METHYL-2-(2-METHYLPROPOXY)BUTANOIC ACID
CAS Number:
78522-82-4
Molecular Formula:
C9H18O3
Molecular Weight:
174.2374
MDL Number:
MFCD09939925
IUPAC Name:
3-methyl-2-(2-methylpropoxy)butanoic acid
InChI:
InChI=1S/C9H18O3/c1-6(2)5-12-8(7(3)4)9(10)11/h6-8H,5H2,1-4H3,(H,10,11)
InChI Key:
GNKRKNMTYHASQI-UHFFFAOYSA-N
SMILES:
CC(COC(C(=O)O)C(C)C)C
Properties
Complexity:
141  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.126g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
174.24g/mol
Monoisotopic Mass:
174.126g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties