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20535-82-4 | 6H-Purin-6-one, 1,9-dihydro-1,9-dimethyl-
CAS No: 20535-82-4 Catalog No: AG002A1C MDL No:
Product Description
Catalog Number:
AG002A1C
Chemical Name:
6H-Purin-6-one, 1,9-dihydro-1,9-dimethyl-
CAS Number:
20535-82-4
Molecular Formula:
C7H8N4O
Molecular Weight:
164.1646
IUPAC Name:
1,9-dimethylpurin-6-one
InChI:
InChI=1S/C7H8N4O/c1-10-3-8-5-6(10)9-4-11(2)7(5)12/h3-4H,1-2H3
InChI Key:
KIHZGMYZXVZBRG-UHFFFAOYSA-N
SMILES:
O=c1n(C)cnc2c1ncn2C
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.07g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.168g/mol
Monoisotopic Mass:
164.07g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
50.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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