Home Other Building Blocks 3-[4-(propan-2-yl)phenyl]butanoic acid

3-[4-(propan-2-yl)phenyl]butanoic acid

CAS No.:
53086-50-3
Catalog Number:
AG01AJVA
Molecular Formula:
C13H18O2
Molecular Weight:
206.2808
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Product Description
Catalog Number:
AG01AJVA
Chemical Name:
3-[4-(propan-2-yl)phenyl]butanoic acid
CAS Number:
53086-50-3
Molecular Formula:
C13H18O2
Molecular Weight:
206.2808
MDL Number:
MFCD01549654
IUPAC Name:
3-(4-propan-2-ylphenyl)butanoic acid
InChI:
InChI=1S/C13H18O2/c1-9(2)11-4-6-12(7-5-11)10(3)8-13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)
InChI Key:
YGRKCYCSSBZHGL-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)C(C)C)CC(=O)O
Properties
Complexity:
203  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.131g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
206.285g/mol
Monoisotopic Mass:
206.131g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties