Home Other Building Blocks 2-(cyanomethoxy)benzoic acid

2-(cyanomethoxy)benzoic acid

CAS No.:
59393-79-2
Catalog Number:
AG019WMK
Molecular Formula:
C9H7NO3
Molecular Weight:
177.1568
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Product Description
Catalog Number:
AG019WMK
Chemical Name:
2-(cyanomethoxy)benzoic acid
CAS Number:
59393-79-2
Molecular Formula:
C9H7NO3
Molecular Weight:
177.1568
MDL Number:
MFCD09813416
IUPAC Name:
2-(cyanomethoxy)benzoic acid
InChI:
InChI=1S/C9H7NO3/c10-5-6-13-8-4-2-1-3-7(8)9(11)12/h1-4H,6H2,(H,11,12)
InChI Key:
BGCVCJBIFBISFN-UHFFFAOYSA-N
SMILES:
N#CCOc1ccccc1C(=O)O
Properties
Complexity:
230  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.043g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
177.159g/mol
Monoisotopic Mass:
177.043g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
70.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties