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123958-41-8 | 3,6-Ethanocyclohepta[cd]benzofuran-10,10,11,11-tetracarbonitrile, 3,6-dihydro- (9CI)
CAS No: 123958-41-8 Catalog No: AG000L9R MDL No:
Product Description
Catalog Number:
AG000L9R
Chemical Name:
3,6-Ethanocyclohepta[cd]benzofuran-10,10,11,11-tetracarbonitrile, 3,6-dihydro- (9CI)
CAS Number:
123958-41-8
Molecular Formula:
C18H8N4O
Molecular Weight:
296.2823
IUPAC Name:
4-oxatetracyclo[8.2.2.12,5.09,15]pentadeca-2,5,7,9(15),13-pentaene-11,11,12,12-tetracarbonitrile
InChI:
InChI=1S/C18H8N4O/c19-7-17(8-20)13-4-5-14(18(17,9-21)10-22)12-6-23-15-3-1-2-11(13)16(12)15/h1-6,13-14H
InChI Key:
IXBYUNCAQXOWQZ-UHFFFAOYSA-N
SMILES:
N#CC1(C#N)C2C=CC(C1(C#N)C#N)c1c3c2coc3ccc1
NSC Number:
629301
Properties
Complexity:
758
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.07g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.289g/mol
Monoisotopic Mass:
296.07g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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