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Home > Other Heterocycles > 97039-84-4
97039-84-4 | Bicyclo[4.2.0]octa-2,4-diene-1,7-dicarbonitrile, 4-methoxy-
CAS No: 97039-84-4 Catalog No: AG006NZ1 MDL No:
Product Description
Catalog Number:
AG006NZ1
Chemical Name:
Bicyclo[4.2.0]octa-2,4-diene-1,7-dicarbonitrile, 4-methoxy-
CAS Number:
97039-84-4
Molecular Formula:
C11H10N2O
Molecular Weight:
186.2099
IUPAC Name:
4-methoxybicyclo[4.2.0]octa-2,4-diene-1,7-dicarbonitrile
InChI:
InChI=1S/C11H10N2O/c1-14-9-2-3-11(7-13)5-8(6-12)10(11)4-9/h2-4,8,10H,5H2,1H3
InChI Key:
XKHUDZZFGZMQCI-UHFFFAOYSA-N
SMILES:
COC1=CC2C(C=C1)(C#N)CC2C#N
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.214g/mol
Monoisotopic Mass:
186.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
56.8A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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