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75912-11-7 | Benzonitrile, 2,6-dimethyl-4-[[(methylamino)carbonyl]oxy]-
CAS No: 75912-11-7 Catalog No: AG005HCH MDL No:
Product Description
Catalog Number:
AG005HCH
Chemical Name:
Benzonitrile, 2,6-dimethyl-4-[[(methylamino)carbonyl]oxy]-
CAS Number:
75912-11-7
Molecular Formula:
C11H12N2O2
Molecular Weight:
204.2252
IUPAC Name:
(4-cyano-3,5-dimethylphenyl) N-methylcarbamate
InChI:
InChI=1S/C11H12N2O2/c1-7-4-9(15-11(14)13-3)5-8(2)10(7)6-12/h4-5H,1-3H3,(H,13,14)
InChI Key:
LQTJTFKKMGPSQH-UHFFFAOYSA-N
SMILES:
CNC(=O)Oc1cc(C)c(c(c1)C)C#N
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.09g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.229g/mol
Monoisotopic Mass:
204.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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