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116396-95-3 | Methanimidic acid, N-(2,6-diethylphenyl)-, methyl ester
CAS No: 116396-95-3 Catalog No: AG000CEK MDL No:
Product Description
Catalog Number:
AG000CEK
Chemical Name:
Methanimidic acid, N-(2,6-diethylphenyl)-, methyl ester
CAS Number:
116396-95-3
Molecular Formula:
C12H17NO
Molecular Weight:
191.2695
IUPAC Name:
methyl N-(2,6-diethylphenyl)methanimidate
InChI:
InChI=1S/C12H17NO/c1-4-10-7-6-8-11(5-2)12(10)13-9-14-3/h6-9H,4-5H2,1-3H3
InChI Key:
HFNIFHAQRGVGDY-UHFFFAOYSA-N
SMILES:
COC=Nc1c(CC)cccc1CC
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.131g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.274g/mol
Monoisotopic Mass:
191.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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