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89487-98-9 | 7H-Pyrrolo[2,3-d]pyrimidin-6-ol
CAS No: 89487-98-9 Catalog No: AG0041SE MDL No:
Product Description
Catalog Number:
AG0041SE
Chemical Name:
7H-Pyrrolo[2,3-d]pyrimidin-6-ol
CAS Number:
89487-98-9
Molecular Formula:
C6H5N3O
Molecular Weight:
135.1234
IUPAC Name:
7H-pyrrolo[2,3-d]pyrimidin-6-ol
InChI:
InChI=1S/C6H5N3O/c10-5-1-4-2-7-3-8-6(4)9-5/h1-3,10H,(H,7,8,9)
InChI Key:
WFTARWVOQDMSOK-UHFFFAOYSA-N
SMILES:
Oc1cc2c([nH]1)ncnc2
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
135.043g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
135.126g/mol
Monoisotopic Mass:
135.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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