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1260770-62-4 | Benzoic acid, 2-cyano-6-methyl-, ethyl ester
CAS No: 1260770-62-4 Catalog No: AG000R6F MDL No:
Product Description
Catalog Number:
AG000R6F
Chemical Name:
Benzoic acid, 2-cyano-6-methyl-, ethyl ester
CAS Number:
1260770-62-4
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
IUPAC Name:
ethyl 2-cyano-6-methylbenzoate
InChI:
InChI=1S/C11H11NO2/c1-3-14-11(13)10-8(2)5-4-6-9(10)7-12/h4-6H,3H2,1-2H3
InChI Key:
RKMKUXWGEQFORW-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(C)cccc1C#N
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.214g/mol
Monoisotopic Mass:
189.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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