Home Other Building Blocks methyl 5-(cyanomethyl)-2-methylbenzoate

methyl 5-(cyanomethyl)-2-methylbenzoate

CAS No.:
2060030-00-2
Catalog Number:
AG01BS6D
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
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Product Description
Catalog Number:
AG01BS6D
Chemical Name:
methyl 5-(cyanomethyl)-2-methylbenzoate
CAS Number:
2060030-00-2
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
MDL Number:
MFCD30536071
IUPAC Name:
methyl 5-(cyanomethyl)-2-methylbenzoate
InChI:
InChI=1S/C11H11NO2/c1-8-3-4-9(5-6-12)7-10(8)11(13)14-2/h3-4,7H,5H2,1-2H3
InChI Key:
NVTTZMVXNSLBRV-UHFFFAOYSA-N
SMILES:
N#CCc1ccc(c(c1)C(=O)OC)C
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:
1.8  
Properties