Home Other Building Blocks 5-(3-cyanophenoxy)pentanoic acid

5-(3-cyanophenoxy)pentanoic acid

CAS No.:
1038972-84-7
Catalog Number:
AG01AHFF
Molecular Formula:
C12H13NO3
Molecular Weight:
219.2365
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Product Description
Catalog Number:
AG01AHFF
Chemical Name:
5-(3-cyanophenoxy)pentanoic acid
CAS Number:
1038972-84-7
Molecular Formula:
C12H13NO3
Molecular Weight:
219.2365
MDL Number:
MFCD11192993
IUPAC Name:
5-(3-cyanophenoxy)pentanoic acid
InChI:
InChI=1S/C12H13NO3/c13-9-10-4-3-5-11(8-10)16-7-2-1-6-12(14)15/h3-5,8H,1-2,6-7H2,(H,14,15)
InChI Key:
QASZYBYQWJDDRF-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)OCCCCC(=O)O
Properties
Complexity:
269  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.09g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
219.24g/mol
Monoisotopic Mass:
219.09g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
70.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties