Home Other Building Blocks 3-(2-cyanophenoxymethyl)benzoic acid

3-(2-cyanophenoxymethyl)benzoic acid

CAS No.:
1016880-52-6
Catalog Number:
AG01AIF4
Molecular Formula:
C15H11NO3
Molecular Weight:
253.2527
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Product Description
Catalog Number:
AG01AIF4
Chemical Name:
3-(2-cyanophenoxymethyl)benzoic acid
CAS Number:
1016880-52-6
Molecular Formula:
C15H11NO3
Molecular Weight:
253.2527
MDL Number:
MFCD09947843
IUPAC Name:
3-[(2-cyanophenoxy)methyl]benzoic acid
InChI:
InChI=1S/C15H11NO3/c16-9-13-5-1-2-7-14(13)19-10-11-4-3-6-12(8-11)15(17)18/h1-8H,10H2,(H,17,18)
InChI Key:
AWUHBXMUGLGASF-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1OCc1cccc(c1)C(=O)O
Properties
Complexity:
360  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.074g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
253.257g/mol
Monoisotopic Mass:
253.074g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
70.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties