Home Carboxys 3-(cyanomethoxy)naphthalene-2-carboxylic acid

3-(cyanomethoxy)naphthalene-2-carboxylic acid

CAS No.:
1016678-48-0
Catalog Number:
AG01A4GF
Molecular Formula:
C13H9NO3
Molecular Weight:
227.2155
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Product Description
Catalog Number:
AG01A4GF
Chemical Name:
3-(cyanomethoxy)naphthalene-2-carboxylic acid
CAS Number:
1016678-48-0
Molecular Formula:
C13H9NO3
Molecular Weight:
227.2155
MDL Number:
MFCD09811643
IUPAC Name:
3-(cyanomethoxy)naphthalene-2-carboxylic acid
InChI:
InChI=1S/C13H9NO3/c14-5-6-17-12-8-10-4-2-1-3-9(10)7-11(12)13(15)16/h1-4,7-8H,6H2,(H,15,16)
InChI Key:
URJQYCRUOVNLAS-UHFFFAOYSA-N
SMILES:
N#CCOc1cc2ccccc2cc1C(=O)O
Properties
Complexity:
333  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.058g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
227.219g/mol
Monoisotopic Mass:
227.058g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
70.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties