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93587-26-9 | 7-Nitro-3H-pyrrolo[3,2-d]pyrimidin-4(5H)-one
CAS No: 93587-26-9 Catalog No: AG00IHOS MDL No:
Product Description
Catalog Number:
AG00IHOS
Chemical Name:
7-Nitro-3H-pyrrolo[3,2-d]pyrimidin-4(5H)-one
CAS Number:
93587-26-9
IUPAC Name:
7-nitro-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
InChI:
InChI=1S/C6H4N4O3/c11-6-5-4(8-2-9-6)3(1-7-5)10(12)13/h1-2,7H,(H,8,9,11)
InChI Key:
VJQHZPGWPTUHFJ-UHFFFAOYSA-N
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.028g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
180.123g/mol
Monoisotopic Mass:
180.028g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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