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122523-09-5 | Pyrido[2,3-e][1,4]oxazepine(9CI)
CAS No: 122523-09-5 Catalog No: AG0017E5 MDL No:
Product Description
Catalog Number:
AG0017E5
Chemical Name:
Pyrido[2,3-e][1,4]oxazepine(9CI)
CAS Number:
122523-09-5
Molecular Formula:
C8H6N2O
Molecular Weight:
146.1460
IUPAC Name:
pyrido[2,3-e][1,4]oxazepine
InChI:
InChI=1S/C8H6N2O/c1-2-7-6-11-5-4-10-8(7)9-3-1/h1-6H
InChI Key:
FIJLGMJLDUISSL-UHFFFAOYSA-N
SMILES:
C1=CN=c2c(=CO1)cccn2
Properties
Complexity:
308
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:
2
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:
34A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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