Home Other Building Blocks 4-[4-(cyanomethyl)phenoxy]benzoic acid

4-[4-(cyanomethyl)phenoxy]benzoic acid

CAS No.:
1021144-57-9
Catalog Number:
AG01AH2R
Molecular Formula:
C15H11NO3
Molecular Weight:
253.2527
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Product Description
Catalog Number:
AG01AH2R
Chemical Name:
4-[4-(cyanomethyl)phenoxy]benzoic acid
CAS Number:
1021144-57-9
Molecular Formula:
C15H11NO3
Molecular Weight:
253.2527
MDL Number:
MFCD12452313
IUPAC Name:
4-[4-(cyanomethyl)phenoxy]benzoic acid
InChI:
InChI=1S/C15H11NO3/c16-10-9-11-1-5-13(6-2-11)19-14-7-3-12(4-8-14)15(17)18/h1-8H,9H2,(H,17,18)
InChI Key:
XSEZPZNMAQLSOI-UHFFFAOYSA-N
SMILES:
N#CCc1ccc(cc1)Oc1ccc(cc1)C(=O)O
Properties
Complexity:
344  
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:
3.6  
Properties