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1003946-48-2 | 7-Oxo-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazine-2-carboxaldehyde
CAS No: 1003946-48-2 Catalog No: AG01DZAQ MDL No:
Product Description
Catalog Number:
AG01DZAQ
Chemical Name:
7-Oxo-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazine-2-carboxaldehyde
CAS Number:
1003946-48-2
IUPAC Name:
7-oxo-8H-pyrimido[5,4-b][1,4]oxazine-2-carbaldehyde
InChI:
InChI=1S/C7H5N3O3/c11-2-5-8-1-4-7(9-5)10-6(12)3-13-4/h1-2H,3H2,(H,8,9,10,12)
InChI Key:
LHXUUSNYHIVACU-UHFFFAOYSA-N
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.033g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.135g/mol
Monoisotopic Mass:
179.033g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
81.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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