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Porphine

CAT: 0024-sc-264082ASize: 10 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-264082ASize:10 mg
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CAS Number
101-60-0

Chemical Information

Porphyrin

Porphyrin is a member of porphyrins and a tetrapyrrole fundamental parent. It has a role as a metabolite.

CAS Number101-60-0
PubChem CID66868
IUPAC Name21,22-dihydroporphyrin
Molecular FormulaC20H14N4
Molecular Weight310.4
XLogP3.9
Topological Polar Surface Area57.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count24
Formal Charge0
Complexity403
SMILES
C1=CC2=CC3=CC=C(N3)C=C4C=CC(=N4)C=C5C=CC(=N5)C=C1N2
InChI
InChI=1S/C20H14N4/c1-2-14-10-16-5-6-18(23-16)12-20-8-7-19(24-20)11-17-4-3-15(22-17)9-13(1)21-14/h1-12,21-22H
InChIKey
JZRYQZJSTWVBBD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Porphyrin
CAS: 101-60-0
CID: 66868
Formula: C20H14N4
MW: 310.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight310.4
XLogP33.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass310.121846464
Monoisotopic Mass310.121846464
Topological Polar Surface Area57.4 Ų
Heavy Atom Count24
Formal Charge0
Complexity403
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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