Home Other Building Blocks 3-benzyl-4-phenylbutanoic acid

3-benzyl-4-phenylbutanoic acid

CAS No.:
93651-70-8
Catalog Number:
AG019YXN
Molecular Formula:
C17H18O2
Molecular Weight:
254.3236
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Product Description
Catalog Number:
AG019YXN
Chemical Name:
3-benzyl-4-phenylbutanoic acid
CAS Number:
93651-70-8
Molecular Formula:
C17H18O2
Molecular Weight:
254.3236
MDL Number:
MFCD12617162
IUPAC Name:
3-benzyl-4-phenylbutanoic acid
InChI:
InChI=1S/C17H18O2/c18-17(19)13-16(11-14-7-3-1-4-8-14)12-15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,18,19)
InChI Key:
RACFIUFPANWJHA-UHFFFAOYSA-N
SMILES:
OC(=O)CC(Cc1ccccc1)Cc1ccccc1
Properties
Complexity:
242  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.131g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
254.329g/mol
Monoisotopic Mass:
254.131g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  
Properties