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3,8-Phenanthroline

CAT: 0127-OR1010849-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1010849-01Size:100 mg
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CAS Number
229-70-9
MDL Number
MFCD06637420
Purity
98%
Smiles
C1cc2c(ccc3cnccc23)cn1

Chemical Information

3,8-Phenanthroline
CAS Number229-70-9
PubChem CID13064691
IUPAC Name3,8-phenanthroline
Molecular FormulaC12H8N2
Molecular Weight180.20
XLogP2.3
Topological Polar Surface Area25.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count14
Formal Charge0
Complexity182
SMILES
C1=CC2=C(C=CN=C2)C3=C1C=NC=C3
InChI
InChI=1S/C12H8N2/c1-2-10-8-14-6-4-12(10)11-3-5-13-7-9(1)11/h1-8H
InChIKey
SWSBZLMSDYTUAA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,8-Phenanthroline
CAS: 229-70-9
CID: 13064691
Formula: C12H8N2
MW: 180.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight180.20
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass180.068748264
Monoisotopic Mass180.068748264
Topological Polar Surface Area25.8 Ų
Heavy Atom Count14
Formal Charge0
Complexity182
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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