Home Other Building Blocks 2-[3-(cyanomethoxy)phenyl]acetic acid

2-[3-(cyanomethoxy)phenyl]acetic acid

CAS No.:
1248672-51-6
Catalog Number:
AG01A32V
Molecular Formula:
C10H9NO3
Molecular Weight:
191.1834
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Product Description
Catalog Number:
AG01A32V
Chemical Name:
2-[3-(cyanomethoxy)phenyl]acetic acid
CAS Number:
1248672-51-6
Molecular Formula:
C10H9NO3
Molecular Weight:
191.1834
MDL Number:
MFCD14658990
IUPAC Name:
2-[3-(cyanomethoxy)phenyl]acetic acid
InChI:
InChI=1S/C10H9NO3/c11-4-5-14-9-3-1-2-8(6-9)7-10(12)13/h1-3,6H,5,7H2,(H,12,13)
InChI Key:
DRXKNPHDLIAUKD-UHFFFAOYSA-N
SMILES:
N#CCOc1cccc(c1)CC(=O)O
Properties
Complexity:
243  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.058g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
191.186g/mol
Monoisotopic Mass:
191.058g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
70.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties