Home Other Building Blocks 2,5,5-trimethylhexanoic acid

2,5,5-trimethylhexanoic acid

CAS No.:
53705-45-6
Catalog Number:
AG01A718
Molecular Formula:
C9H18O2
Molecular Weight:
158.2380
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Product Description
Catalog Number:
AG01A718
Chemical Name:
2,5,5-trimethylhexanoic acid
CAS Number:
53705-45-6
Molecular Formula:
C9H18O2
Molecular Weight:
158.2380
MDL Number:
MFCD14676691
IUPAC Name:
2,5,5-trimethylhexanoic acid
InChI:
InChI=1S/C9H18O2/c1-7(8(10)11)5-6-9(2,3)4/h7H,5-6H2,1-4H3,(H,10,11)
InChI Key:
FOTVZXLILUCNDJ-UHFFFAOYSA-N
SMILES:
CC(C(=O)O)CCC(C)(C)C
Properties
Complexity:
133  
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:
4  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties