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2,3-Diaminophenol

CAT: 0013-GTR19251277-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19251277-02Size:25 mg
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Description
2,3-Diaminophenol
CAS Number
59649-56-8
Smiles
OC1=CC=CC (N) =C1N
Molecular Formula
C6H8N2O
Molecular Weight
124.14
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2,3-Diaminophenol
CAS Number59649-56-8
PubChem CID579937
IUPAC Name2,3-diaminophenol
Molecular FormulaC6H8N2O
Molecular Weight124.14
XLogP0.2
Topological Polar Surface Area72.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity97
SMILES
C1=CC(=C(C(=C1)O)N)N
InChI
InChI=1S/C6H8N2O/c7-4-2-1-3-5(9)6(4)8/h1-3,9H,7-8H2
InChIKey
PCAXITAPTVOLGL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,3-Diaminophenol
CAS: 59649-56-8
CID: 579937
Formula: C6H8N2O
MW: 124.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight124.14
XLogP30.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass124.063662883
Monoisotopic Mass124.063662883
Topological Polar Surface Area72.3 Ų
Heavy Atom Count9
Formal Charge0
Complexity97.1
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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