Home Other Building Blocks 5-(4-tert-butylphenyl)pentanoic acid

5-(4-tert-butylphenyl)pentanoic acid

CAS No.:
101100-63-4
Catalog Number:
AG01A9PN
Molecular Formula:
C15H22O2
Molecular Weight:
234.3340
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Product Description
Catalog Number:
AG01A9PN
Chemical Name:
5-(4-tert-butylphenyl)pentanoic acid
CAS Number:
101100-63-4
Molecular Formula:
C15H22O2
Molecular Weight:
234.3340
MDL Number:
MFCD09890950
IUPAC Name:
5-(4-tert-butylphenyl)pentanoic acid
InChI:
InChI=1S/C15H22O2/c1-15(2,3)13-10-8-12(9-11-13)6-4-5-7-14(16)17/h8-11H,4-7H2,1-3H3,(H,16,17)
InChI Key:
ADOMZIHVRVNNAC-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCc1ccc(cc1)C(C)(C)C
Properties
Complexity:
232  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.162g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
234.339g/mol
Monoisotopic Mass:
234.162g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4  
Properties