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78480-38-3 | 4,7-Methanocycloprop[b]isoxazolo[4,5-e]azepine(9CI)
CAS No: 78480-38-3 Catalog No: AG005A3F MDL No:
Product Description
Catalog Number:
AG005A3F
Chemical Name:
4,7-Methanocycloprop[b]isoxazolo[4,5-e]azepine(9CI)
CAS Number:
78480-38-3
Molecular Formula:
C9H4N2O
Molecular Weight:
156.1409
IUPAC Name:
3-oxa-4,11-diazatetracyclo[5.4.1.02,6.08,10]dodeca-1(11),2(6),4,7,9-pentaene
InChI:
InChI=1S/C9H4N2O/c1-4-5-2-7(5)11-8(1)9-6(4)3-10-12-9/h2-3H,1H2
InChI Key:
LYABESVYCXENHW-UHFFFAOYSA-N
SMILES:
n1oc2c(c1)C1=C3C(=C3)N=C2C1
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.032g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
156.144g/mol
Monoisotopic Mass:
156.032g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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