Home Other Building Blocks 2,3,4,4-tetramethylpentanoic acid

2,3,4,4-tetramethylpentanoic acid

CAS No.:
67731-84-4
Catalog Number:
AG01BTI5
Molecular Formula:
C9H18O2
Molecular Weight:
158.2380
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Product Description
Catalog Number:
AG01BTI5
Chemical Name:
2,3,4,4-tetramethylpentanoic acid
CAS Number:
67731-84-4
Molecular Formula:
C9H18O2
Molecular Weight:
158.2380
MDL Number:
MFCD20644861
IUPAC Name:
2,3,4,4-tetramethylpentanoic acid
InChI:
InChI=1S/C9H18O2/c1-6(8(10)11)7(2)9(3,4)5/h6-7H,1-5H3,(H,10,11)
InChI Key:
IWQGPFOFKOXBRP-UHFFFAOYSA-N
SMILES:
OC(=O)C(C(C(C)(C)C)C)C
Properties
Complexity:
144  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.131g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
158.241g/mol
Monoisotopic Mass:
158.131g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties