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139349-54-5 | 1H,3H-Pyrimido[1,6-c][1,3]oxazine (9CI)
CAS No: 139349-54-5 Catalog No: AG001ASV MDL No:
Product Description
Catalog Number:
AG001ASV
Chemical Name:
1H,3H-Pyrimido[1,6-c][1,3]oxazine (9CI)
CAS Number:
139349-54-5
Molecular Formula:
C7H8N2O
Molecular Weight:
136.1512
IUPAC Name:
1,3-dihydropyrimido[1,6-c][1,3]oxazine
InChI:
InChI=1S/C7H8N2O/c1-3-8-5-9-6-10-4-2-7(1)9/h1-3,5H,4,6H2
InChI Key:
RLUNVQBNLXDWJL-UHFFFAOYSA-N
SMILES:
C1OCn2c(=C1)ccnc2
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.064g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
136.154g/mol
Monoisotopic Mass:
136.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
24.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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