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Purine

CAT: 1596-AR-P03243-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-P03243-01Size:10 Units
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CAS Number
120-73-0
Synonyms
7H-purine
Molecular Formula
C5H4N4
Molecular Weight
120.11
API Name
Purine

Chemical Information

Purine

7H-purine is the 7H-tautomer of purine. It is a tautomer of a 1H-purine, a 3H-purine and a 9H-purine.

CAS Number120-73-0
PubChem CID1044
IUPAC Name7H-purine
Molecular FormulaC5H4N4
Molecular Weight120.11
XLogP-0.4
Topological Polar Surface Area54.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity105
SMILES
C1=C2C(=NC=N1)N=CN2
InChI
InChI=1S/C5H4N4/c1-4-5(8-2-6-1)9-3-7-4/h1-3H,(H,6,7,8,9)
InChIKey
KDCGOANMDULRCW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Purine
CAS: 120-73-0
CID: 1044
Formula: C5H4N4
MW: 120.11
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight120.11
XLogP3-0.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass120.043596145
Monoisotopic Mass120.043596145
Topological Polar Surface Area54.5 Ų
Heavy Atom Count9
Formal Charge0
Complexity105
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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