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26223-15-4 | Pyrimido[4,5-e][1,4]oxazepine (8CI,9CI)
CAS No: 26223-15-4 Catalog No: AG002SC2 MDL No:
Product Description
Catalog Number:
AG002SC2
Chemical Name:
Pyrimido[4,5-e][1,4]oxazepine (8CI,9CI)
CAS Number:
26223-15-4
Molecular Formula:
C7H5N3O
Molecular Weight:
147.1341
IUPAC Name:
pyrimido[4,5-e][1,4]oxazepine
InChI:
InChI=1S/C7H5N3O/c1-2-11-4-6-3-8-5-10-7(6)9-1/h1-5H
InChI Key:
UPIRAMLPAZOTDN-UHFFFAOYSA-N
SMILES:
C1=CN=c2c(=CO1)cncn2
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.043g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
147.137g/mol
Monoisotopic Mass:
147.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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