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31010-51-2 | 6H-Purin-6-one, 9-ethyl-1,9-dihydro-
CAS No: 31010-51-2 Catalog No: AG0031WZ MDL No:
Product Description
Catalog Number:
AG0031WZ
Chemical Name:
6H-Purin-6-one, 9-ethyl-1,9-dihydro-
CAS Number:
31010-51-2
Molecular Formula:
C7H8N4O
Molecular Weight:
164.1646
IUPAC Name:
9-ethyl-1H-purin-6-one
InChI:
InChI=1S/C7H8N4O/c1-2-11-4-10-5-6(11)8-3-9-7(5)12/h3-4H,2H2,1H3,(H,8,9,12)
InChI Key:
COBZZWPZKRRPEN-UHFFFAOYSA-N
SMILES:
CCn1cnc2c1nc[nH]c2=O
Properties
Complexity:
227
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:
1
Isotope Atom Count:
0
Molecular Weight:
164.168g/mol
Monoisotopic Mass:
164.07g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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