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Home > Aldehydes > 1003947-30-5
1003947-30-5 | 5H-Pyridazino[3,4-b][1,4]oxazine-3-carboxaldehyde, 6,7-dihydro-6-oxo-
CAS No: 1003947-30-5 Catalog No: AG0001VU MDL No:MFCD23701671
Product Description
Catalog Number:
AG0001VU
Chemical Name:
5H-Pyridazino[3,4-b][1,4]oxazine-3-carboxaldehyde, 6,7-dihydro-6-oxo-
CAS Number:
1003947-30-5
Molecular Formula:
C7H5N3O3
Molecular Weight:
179.1329
MDL Number:
MFCD23701671
IUPAC Name:
6-oxo-5H-pyridazino[3,4-b][1,4]oxazine-3-carbaldehyde
InChI:
InChI=1S/C7H5N3O3/c11-2-4-1-5-7(10-9-4)13-3-6(12)8-5/h1-2H,3H2,(H,8,12)
InChI Key:
QCKOYYKDNIEFDR-UHFFFAOYSA-N
SMILES:
O=Cc1nnc2c(c1)NC(=O)CO2
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:
-1.1
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