Home Other Building Blocks 3-benzylbenzoic acid

3-benzylbenzoic acid

CAS No.:
620-54-2
Catalog Number:
AG01C2Q6
Molecular Formula:
C14H12O2
Molecular Weight:
212.2439
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Product Description
Catalog Number:
AG01C2Q6
Chemical Name:
3-benzylbenzoic acid
CAS Number:
620-54-2
Molecular Formula:
C14H12O2
Molecular Weight:
212.2439
MDL Number:
MFCD01940398
IUPAC Name:
3-benzylbenzoic acid
InChI:
InChI=1S/C14H12O2/c15-14(16)13-8-4-7-12(10-13)9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H,15,16)
InChI Key:
WHUFYYNKCXXKSU-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)Cc1ccccc1
Properties
Complexity:
231  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.084g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
212.248g/mol
Monoisotopic Mass:
212.084g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  
Properties