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Home > Other Heterocycles > 116415-08-8
116415-08-8 | Bicyclo[4.2.0]octa-2,4-diene-1-carbonitrile, 8-ethoxy-3-methoxy-
CAS No: 116415-08-8 Catalog No: AG000CFR MDL No:
Product Description
Catalog Number:
AG000CFR
Chemical Name:
Bicyclo[4.2.0]octa-2,4-diene-1-carbonitrile, 8-ethoxy-3-methoxy-
CAS Number:
116415-08-8
Molecular Formula:
C12H15NO2
Molecular Weight:
205.2530
IUPAC Name:
8-ethoxy-3-methoxybicyclo[4.2.0]octa-2,4-diene-1-carbonitrile
InChI:
InChI=1S/C12H15NO2/c1-3-15-11-6-9-4-5-10(14-2)7-12(9,11)8-13/h4-5,7,9,11H,3,6H2,1-2H3
InChI Key:
XIVWUAGWEPYPFW-UHFFFAOYSA-N
SMILES:
CCOC1CC2C1(C#N)C=C(C=C2)OC
Properties
Complexity:
363
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:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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