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847951-47-7 | Benzenepropanenitrile, 2,6-dimethoxy-b-oxo-
CAS No: 847951-47-7 Catalog No: AG004OK0 MDL No:
Product Description
Catalog Number:
AG004OK0
Chemical Name:
Benzenepropanenitrile, 2,6-dimethoxy-b-oxo-
CAS Number:
847951-47-7
Molecular Formula:
C11H11NO3
Molecular Weight:
205.2099
IUPAC Name:
3-(2,6-dimethoxyphenyl)-3-oxopropanenitrile
InChI:
InChI=1S/C11H11NO3/c1-14-9-4-3-5-10(15-2)11(9)8(13)6-7-12/h3-5H,6H2,1-2H3
InChI Key:
FTPPCEYLUSGNAW-UHFFFAOYSA-N
SMILES:
COc1cccc(c1C(=O)CC#N)OC
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.074g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.213g/mol
Monoisotopic Mass:
205.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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