Home Other Building Blocks Benzoic acid, 2-cyano-5-methoxy-, methyl ester

Benzoic acid, 2-cyano-5-methoxy-, methyl ester

CAS No.:
127510-95-6
Catalog Number:
AG000X4I
Molecular Formula:
C10H9NO3
Molecular Weight:
191.1834
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Product Description
Catalog Number:
AG000X4I
Chemical Name:
Benzoic acid, 2-cyano-5-methoxy-, methyl ester
CAS Number:
127510-95-6
Molecular Formula:
C10H9NO3
Molecular Weight:
191.1834
MDL Number:
MFCD09800435
IUPAC Name:
methyl 2-cyano-5-methoxybenzoate
InChI:
InChI=1S/C10H9NO3/c1-13-8-4-3-7(6-11)9(5-8)10(12)14-2/h3-5H,1-2H3
InChI Key:
YIRZMMZVHCFIAK-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)C(=O)OC)C#N
Properties
Complexity:
255  
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:
3  
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties