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Chemistry

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Also known as:
Molecular Formula
C5H5N5O
Molecular Weight
151.13  g/mol
InChI Key
UYTPUPDQBNUYGX-UHFFFAOYSA-N

Guanine
1 2D Structure

Guanine

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-amino-3,7-dihydropurin-6-one
2.1.2 InChI
InChI=1S/C5H5N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)
2.1.3 InChI Key
UYTPUPDQBNUYGX-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=NC2=C(N1)C(=O)N=C(N2)N
2.1.5 Isomeric SMILES
C1=NC2=C(N1)C(=O)N=C(N2)N
2.2 Create Date
2004-09-16
3 Chemical and Physical Properties
Molecular Weight 151.13 g/mol
Molecular Formula C5H5N5O
XLogP3-1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass151.04940980 g/mol
Monoisotopic Mass151.04940980 g/mol
Topological Polar Surface Area96.2 A^2
Heavy Atom Count11
Formal Charge0
Complexity225
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

API Reference Price

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09-Jan-2021
30-Oct-2024
KGS
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API Imports and Exports

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