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14458-74-3 | 4H-Pyrrolo[3,4-d]pyrimidine
CAS No: 14458-74-3 Catalog No: AG001JSC MDL No:
Product Description
Catalog Number:
AG001JSC
Chemical Name:
4H-Pyrrolo[3,4-d]pyrimidine
CAS Number:
14458-74-3
Molecular Formula:
C6H5N3
Molecular Weight:
119.1240
IUPAC Name:
4H-pyrrolo[3,4-d]pyrimidine
InChI:
InChI=1S/C6H5N3/c1-5-2-8-4-9-6(5)3-7-1/h1,3-4H,2H2
InChI Key:
QLTMUMMXCHIBGM-UHFFFAOYSA-N
SMILES:
N1=CN=C2C(=CN=C2)C1
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
119.048g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
119.127g/mol
Monoisotopic Mass:
119.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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