Home Other Building Blocks 4-(2-methylphenyl)-2-phenylbutanoic acid

4-(2-methylphenyl)-2-phenylbutanoic acid

CAS No.:
1520769-68-9
Catalog Number:
AG01DVIN
Molecular Formula:
C17H18O2
Molecular Weight:
254.3236
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Product Description
Catalog Number:
AG01DVIN
Chemical Name:
4-(2-methylphenyl)-2-phenylbutanoic acid
CAS Number:
1520769-68-9
Molecular Formula:
C17H18O2
Molecular Weight:
254.3236
MDL Number:
MFCD23505422
IUPAC Name:
4-(2-methylphenyl)-2-phenylbutanoic acid
InChI:
InChI=1S/C17H18O2/c1-13-7-5-6-8-14(13)11-12-16(17(18)19)15-9-3-2-4-10-15/h2-10,16H,11-12H2,1H3,(H,18,19)
InChI Key:
IZFSNBYITMFEKH-UHFFFAOYSA-N
SMILES:
OC(=O)C(c1ccccc1)CCc1ccccc1C
Properties
Complexity:
281  
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:
5  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  
Properties