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23169-33-7 | 6H-Purin-6-one, 2-amino-1,9-dihydro-9-(2-hydroxyethyl)-
CAS No: 23169-33-7 Catalog No: AG002MFW MDL No:
Product Description
Catalog Number:
AG002MFW
Chemical Name:
6H-Purin-6-one, 2-amino-1,9-dihydro-9-(2-hydroxyethyl)-
CAS Number:
23169-33-7
Molecular Formula:
C7H9N5O2
Molecular Weight:
195.1787
IUPAC Name:
2-amino-9-(2-hydroxyethyl)-1H-purin-6-one
InChI:
InChI=1S/C7H9N5O2/c8-7-10-5-4(6(14)11-7)9-3-12(5)1-2-13/h3,13H,1-2H2,(H3,8,10,11,14)
InChI Key:
ZXOYFKBSRZDBBD-UHFFFAOYSA-N
SMILES:
OCCn1cnc2c1nc(N)[nH]c2=O
UNII:
913B0OP28B
NSC Number:
40668
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.076g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
195.182g/mol
Monoisotopic Mass:
195.076g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6
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