Home Other Building Blocks Benzoic acid, 2-(cyanomethoxy)-, methyl ester

Benzoic acid, 2-(cyanomethoxy)-, methyl ester

CAS No.:
1641-00-5
Catalog Number:
AG001UN8
Molecular Formula:
C10H9NO3
Molecular Weight:
191.1834
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Product Description
Catalog Number:
AG001UN8
Chemical Name:
Benzoic acid, 2-(cyanomethoxy)-, methyl ester
CAS Number:
1641-00-5
Molecular Formula:
C10H9NO3
Molecular Weight:
191.1834
MDL Number:
MFCD01924694
IUPAC Name:
methyl 2-(cyanomethoxy)benzoate
InChI:
InChI=1S/C10H9NO3/c1-13-10(12)8-4-2-3-5-9(8)14-7-6-11/h2-5H,7H2,1H3
InChI Key:
GMWTWTDYLCCEKF-UHFFFAOYSA-N
SMILES:
N#CCOc1ccccc1C(=O)OC
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:
0
Isotope Atom Count:
0
Molecular Weight:
191.186g/mol
Monoisotopic Mass:
191.058g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties