Home Other Building Blocks 3-(4-methylphenyl)pentanoic acid

3-(4-methylphenyl)pentanoic acid

CAS No.:
57960-06-2
Catalog Number:
AG01AJTQ
Molecular Formula:
C12H16O2
Molecular Weight:
192.2542
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Product Description
Catalog Number:
AG01AJTQ
Chemical Name:
3-(4-methylphenyl)pentanoic acid
CAS Number:
57960-06-2
Molecular Formula:
C12H16O2
Molecular Weight:
192.2542
MDL Number:
MFCD08282293
IUPAC Name:
3-(4-methylphenyl)pentanoic acid
InChI:
InChI=1S/C12H16O2/c1-3-10(8-12(13)14)11-6-4-9(2)5-7-11/h4-7,10H,3,8H2,1-2H3,(H,13,14)
InChI Key:
KPEUQALJJUQYKQ-UHFFFAOYSA-N
SMILES:
CCC(c1ccc(cc1)C)CC(=O)O
Properties
Complexity:
181  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.115g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
192.258g/mol
Monoisotopic Mass:
192.115g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties