Alloxan Monohydrate 98% Extra Pure

CAT: 1507-00106 00025Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1507-00106 00025Size:25 mg

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CAS Number

2244-11-3

Chemical Information

2,4,5,6(1H,3H)-Pyrimidinetetrone, monohydrate

CAS Number	2244-11-3
PubChem CID	16723
IUPAC Name	1,3-diazinane-2,4,5,6-tetrone;hydrate
Molecular Formula	C4H4N2O5
Molecular Weight	160.09
Topological Polar Surface Area	93.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Heavy Atom Count	11
Formal Charge	0
Complexity	222

SMILES

C1(=O)C(=O)NC(=O)NC1=O.O

InChI

InChI=1S/C4H2N2O4.H2O/c7-1-2(8)5-4(10)6-3(1)9;/h(H2,5,6,8,9,10);1H2

InChIKey

DSXMTJRUNLATRP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2244-11-3

CID: 16723

Formula: C4H4N2O5

MW: 160.09

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	160.09
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	160.01202123
Monoisotopic Mass	160.01202123
Topological Polar Surface Area	93.3 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	222
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

Catalog	Name
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