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

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 Number	1400-62-0
PubChem CID	72685
IUPAC Name	8-(2,4-dihydroxy-6-methylanilino)-2-(2,4-dihydroxy-6-methylphenyl)imino-7-hydroxy-1,9-dimethyldibenzofuran-3-one
Molecular Formula	C28H24N2O7
Molecular Weight	500.5
XLogP	3.9
Topological Polar Surface Area	152
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	3
Heavy Atom Count	37
Formal Charge	0
Complexity	1010

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

CAS: 1400-62-0

CID: 72685

Formula: C28H24N2O7

MW: 500.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	500.5
XLogP3	3.9
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	3
Exact Mass	500.15835111
Monoisotopic Mass	500.15835111
Topological Polar Surface Area	152 Å²
Heavy Atom Count	37
Formal Charge	0
Complexity	1010
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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