Home Other Building Blocks 3-ethyl-4,4-dimethylpentanoic acid

3-ethyl-4,4-dimethylpentanoic acid

CAS No.:
212953-10-1
Catalog Number:
AG01BRJH
Molecular Formula:
C9H18O2
Molecular Weight:
158.2380
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Product Description
Catalog Number:
AG01BRJH
Chemical Name:
3-ethyl-4,4-dimethylpentanoic acid
CAS Number:
212953-10-1
Molecular Formula:
C9H18O2
Molecular Weight:
158.2380
MDL Number:
MFCD20645278
IUPAC Name:
3-ethyl-4,4-dimethylpentanoic acid
InChI:
InChI=1S/C9H18O2/c1-5-7(6-8(10)11)9(2,3)4/h7H,5-6H2,1-4H3,(H,10,11)
InChI Key:
HDHGJGWAJFTSJW-UHFFFAOYSA-N
SMILES:
CCC(C(C)(C)C)CC(=O)O
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:
2.8  
Properties