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18002-29-4 | 2(1H)-Pyrimidinone, 4-(hydroxyamino)-1-(tetrahydro-2-furanyl)-
CAS No: 18002-29-4 Catalog No: AG0021MM MDL No:
Product Description
Catalog Number:
AG0021MM
Chemical Name:
2(1H)-Pyrimidinone, 4-(hydroxyamino)-1-(tetrahydro-2-furanyl)-
CAS Number:
18002-29-4
Molecular Formula:
C8H11N3O3
Molecular Weight:
197.1912
IUPAC Name:
4-(hydroxyamino)-1-(oxolan-2-yl)pyrimidin-2-one
InChI:
InChI=1S/C8H11N3O3/c12-8-9-6(10-13)3-4-11(8)7-2-1-5-14-7/h3-4,7,13H,1-2,5H2,(H,9,10,12)
InChI Key:
RBVWISKSYIRZRO-UHFFFAOYSA-N
SMILES:
ONc1ccn(c(=O)n1)C1CCCO1
NSC Number:
107439
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.08g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
197.194g/mol
Monoisotopic Mass:
197.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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