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13930-38-6 | 2H-Purine (8CI,9CI)
CAS No: 13930-38-6 Catalog No: AG001APR MDL No:MFCD18814826
Product Description
Catalog Number:
AG001APR
Chemical Name:
2H-Purine (8CI,9CI)
CAS Number:
13930-38-6
Molecular Formula:
C5H4N4
Molecular Weight:
120.1121
MDL Number:
MFCD18814826
IUPAC Name:
2H-purine
InChI:
InChI=1S/C5H4N4/c1-4-5(8-2-6-1)9-3-7-4/h1,3H,2H2
InChI Key:
WOVMVUDTBAMIDU-UHFFFAOYSA-N
SMILES:
N1=CC2=NC=NC2=NC1
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
120.044g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
120.115g/mol
Monoisotopic Mass:
120.044g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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