Home Other Building Blocks 2-benzyl-3-methylbutanoic acid

2-benzyl-3-methylbutanoic acid

CAS No.:
53483-11-7
Catalog Number:
AG01AK4B
Molecular Formula:
C12H16O2
Molecular Weight:
192.2542
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Product Description
Catalog Number:
AG01AK4B
Chemical Name:
2-benzyl-3-methylbutanoic acid
CAS Number:
53483-11-7
Molecular Formula:
C12H16O2
Molecular Weight:
192.2542
MDL Number:
MFCD12794598
IUPAC Name:
2-benzyl-3-methylbutanoic acid
InChI:
InChI=1S/C12H16O2/c1-9(2)11(12(13)14)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,13,14)
InChI Key:
VPRLUXYRQIHROC-UHFFFAOYSA-N
SMILES:
CC(C(C(=O)O)Cc1ccccc1)C
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:
3.3  
Properties