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14937-74-7 | 6H-Purin-6-one, 2-amino-9-(2-furanylmethyl)-1,9-dihydro-
CAS No: 14937-74-7 Catalog No: AG001LMW MDL No:
Product Description
Catalog Number:
AG001LMW
Chemical Name:
6H-Purin-6-one, 2-amino-9-(2-furanylmethyl)-1,9-dihydro-
CAS Number:
14937-74-7
Molecular Formula:
C10H9N5O2
Molecular Weight:
231.2108
IUPAC Name:
2-amino-9-(furan-2-ylmethyl)-1H-purin-6-one
InChI:
InChI=1S/C10H9N5O2/c11-10-13-8-7(9(16)14-10)12-5-15(8)4-6-2-1-3-17-6/h1-3,5H,4H2,(H3,11,13,14,16)
InChI Key:
YIESXWHNAVYZRL-UHFFFAOYSA-N
SMILES:
Nc1[nH]c(=O)c2c(n1)n(cn2)Cc1ccco1
NSC Number:
29599
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.076g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
231.215g/mol
Monoisotopic Mass:
231.076g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
98.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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