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296784-27-5 | Pyrido[2,3-b][1,4]oxazepine (9CI)
CAS No: 296784-27-5 Catalog No: AG002Z2L MDL No:
Product Description
Catalog Number:
AG002Z2L
Chemical Name:
Pyrido[2,3-b][1,4]oxazepine (9CI)
CAS Number:
296784-27-5
Molecular Formula:
C8H6N2O
Molecular Weight:
146.1460
IUPAC Name:
pyrido[2,3-b][1,4]oxazepine
InChI:
InChI=1S/C8H6N2O/c1-3-7-8(10-4-1)11-6-2-5-9-7/h1-6H
InChI Key:
YIOBXTCJTWWMJA-UHFFFAOYSA-N
SMILES:
C1=COc2c(N=C1)cccn2
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.048g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
146.149g/mol
Monoisotopic Mass:
146.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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