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3,5-Dihydroxyaniline

CAT: 1596-AR-A06592-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-A06592-01Size:10 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
20734-67-2
Molecular Formula
C6H7NO2
Molecular Weight
125.13
API Name
Aniline

Chemical Information

5-Aminobenzene-1,3-diol
CAS Number20734-67-2
PubChem CID410751
IUPAC Name5-aminobenzene-1,3-diol
Molecular FormulaC6H7NO2
Molecular Weight125.13
XLogP-0.2
Topological Polar Surface Area66.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity87
SMILES
C1=C(C=C(C=C1O)O)N
InChI
InChI=1S/C6H7NO2/c7-4-1-5(8)3-6(9)2-4/h1-3,8-9H,7H2
InChIKey
PDCMTKJRBAZZHL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Aminobenzene-1,3-diol
CAS: 20734-67-2
CID: 410751
Formula: C6H7NO2
MW: 125.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight125.13
XLogP3-0.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass125.047678466
Monoisotopic Mass125.047678466
Topological Polar Surface Area66.5 Ų
Heavy Atom Count9
Formal Charge0
Complexity87.1
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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