Home Other Building Blocks 2-benzyl-4-methylpentanoic acid

2-benzyl-4-methylpentanoic acid

CAS No.:
85100-44-3
Catalog Number:
AG01EKBL
Molecular Formula:
C13H18O2
Molecular Weight:
206.2808
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Product Description
Catalog Number:
AG01EKBL
Chemical Name:
2-benzyl-4-methylpentanoic acid
CAS Number:
85100-44-3
Molecular Formula:
C13H18O2
Molecular Weight:
206.2808
MDL Number:
MFCD12152818
IUPAC Name:
2-benzyl-4-methylpentanoic acid
InChI:
InChI=1S/C13H18O2/c1-10(2)8-12(13(14)15)9-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,14,15)
InChI Key:
OSPILOQOWQWUCH-UHFFFAOYSA-N
SMILES:
CC(CC(C(=O)O)Cc1ccccc1)C
Properties
Complexity:
193  
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:
5  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties