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N4-Hydroxycytosine (>90%)

CAT: 0572-TRC-H805078-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H805078-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
20555-88-8
Synonyms
6-(Hydroxyamino)-2(1H)-pyrimidinone;
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
ONC1=CC=NC(=O)N1
Molecular Formula
C4H5N3O2
Molecular Weight
127.1
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

N(4)-Hydroxycytosine
CAS Number20555-88-8
PubChem CID159892
IUPAC Name6-(hydroxyamino)-1H-pyrimidin-2-one
Molecular FormulaC4H5N3O2
Molecular Weight127.10
XLogP-2.1
Topological Polar Surface Area73.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity184
SMILES
C1=C(NC(=O)N=C1)NO
InChI
InChI=1S/C4H5N3O2/c8-4-5-2-1-3(6-4)7-9/h1-2,9H,(H2,5,6,7,8)
InChIKey
OSHIQPFXKULOPB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N(4)-Hydroxycytosine
CAS: 20555-88-8
CID: 159892
Formula: C4H5N3O2
MW: 127.10
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight127.10
XLogP3-2.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass127.038176411
Monoisotopic Mass127.038176411
Topological Polar Surface Area73.7 Ų
Heavy Atom Count9
Formal Charge0
Complexity184
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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