Home Other Building Blocks 3-benzylpentanoic acid

3-benzylpentanoic acid

CAS No.:
35237-29-7
Catalog Number:
AG01E70V
Molecular Formula:
C12H16O2
Molecular Weight:
192.2542
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Product Description
Catalog Number:
AG01E70V
Chemical Name:
3-benzylpentanoic acid
CAS Number:
35237-29-7
Molecular Formula:
C12H16O2
Molecular Weight:
192.2542
MDL Number:
MFCD23160944
IUPAC Name:
3-benzylpentanoic acid
InChI:
InChI=1S/C12H16O2/c1-2-10(9-12(13)14)8-11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3,(H,13,14)
InChI Key:
IUPRIAQWPHFJRZ-UHFFFAOYSA-N
SMILES:
CCC(Cc1ccccc1)CC(=O)O
Properties
Complexity:
171  
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:
5  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties