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Orcein For Microscopy

CAT: 1278-01895 00005Size: 5 gDry Ice: NoHazardous: No
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CAT#:1278-01895 00005Size:5 g
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CAS Number
1400-62-0
HS Code
32030090
Packaging Group
GB

Chemical Information

Orcein

Pacein is a member of the class of benzofurans that is dibenzo[b,d]furan-3,7-dione bearing two methyl substituents at positions 1 and 9 as well as two 2,4-dihydroxy-6-methylanilino substituents at positions 2 and 8. It is a polyphenol, a member of resorcinols, a member of dibenzofurans, a secondary amino compound and a member of quinomethanes.

CAS Number1400-62-0
PubChem CID72685
IUPAC Name8-(2,4-dihydroxy-6-methylanilino)-2-(2,4-dihydroxy-6-methylphenyl)imino-7-hydroxy-1,9-dimethyldibenzofuran-3-one
Molecular FormulaC28H24N2O7
Molecular Weight500.5
XLogP3.9
Topological Polar Surface Area152
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Heavy Atom Count37
Formal Charge0
Complexity1010
SMILES
CC1=CC(=CC(=C1NC2=C(C3=C(C=C2O)OC4=CC(=O)C(=NC5=C(C=C(C=C5C)O)O)C(=C43)C)C)O)O
InChI
InChI=1S/C28H24N2O7/c1-11-5-15(31)7-17(33)25(11)29-27-13(3)23-21(9-19(27)35)37-22-10-20(36)28(14(4)24(22)23)30-26-12(2)6-16(32)8-18(26)34/h5-10,29,31-35H,1-4H3
InChIKey
QFIIYGZAUXVPSZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Orcein
CAS: 1400-62-0
CID: 72685
Formula: C28H24N2O7
MW: 500.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight500.5
XLogP33.9
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Exact Mass500.15835111
Monoisotopic Mass500.15835111
Topological Polar Surface Area152 Ų
Heavy Atom Count37
Formal Charge0
Complexity1010
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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