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76569-43-2 | 3-(2,4-Dimethoxyphenyl)-3-oxopropanenitrile
CAS No: 76569-43-2 Catalog No: AG005KGR MDL No:MFCD02260816
Product Description
Catalog Number:
AG005KGR
Chemical Name:
3-(2,4-Dimethoxyphenyl)-3-oxopropanenitrile
CAS Number:
76569-43-2
Molecular Formula:
C11H11NO3
Molecular Weight:
205.2099
MDL Number:
MFCD02260816
IUPAC Name:
3-(2,4-dimethoxyphenyl)-3-oxopropanenitrile
InChI:
InChI=1S/C11H11NO3/c1-14-8-3-4-9(10(13)5-6-12)11(7-8)15-2/h3-4,7H,5H2,1-2H3
InChI Key:
ZLENRTUQTZZRDG-UHFFFAOYSA-N
SMILES:
N#CCC(=O)c1ccc(cc1OC)OC
Properties
Complexity:
268
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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