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116415-07-7 | 1,3,5-Cyclooctatriene-1-carbonitrile, 8-ethoxy-6-methoxy-
CAS No: 116415-07-7 Catalog No: AG000CFS MDL No:
Product Description
Catalog Number:
AG000CFS
Chemical Name:
1,3,5-Cyclooctatriene-1-carbonitrile, 8-ethoxy-6-methoxy-
CAS Number:
116415-07-7
Molecular Formula:
C12H15NO2
Molecular Weight:
205.2530
IUPAC Name:
8-ethoxy-6-methoxycycloocta-1,3,5-triene-1-carbonitrile
InChI:
InChI=1S/C12H15NO2/c1-3-15-12-8-11(14-2)7-5-4-6-10(12)9-13/h4-7,12H,3,8H2,1-2H3
InChI Key:
ZPZXEBNMWIGXLB-UHFFFAOYSA-N
SMILES:
CCOC1CC(=CC=CC=C1C#N)OC
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.11g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.257g/mol
Monoisotopic Mass:
205.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
3
XLogP3:
1.9
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