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Hematein

CAT: 1596-AR-H01067-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-H01067-02Size:25 Units
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CAS Number
475-25-2
Synonyms
4,6a,9,10-tetrahydroxy-6a,7-dihydroindeno[2,1-c]chromen-3 (6H) -one; 6a,7-Dihydro-3,4,6a,10-tetrahydroxybenz[b]indeno[1,2-d]pyran-9 (6H) -one; Haematein; NSC 7333
Molecular Formula
C16H12O6
Molecular Weight
300.27
API Name
Hematein

Chemical Information

Hematein

Hematein is an organic heterotetracyclic compound that is -6a,7-dihydrobenzo[b]indeno[1,2-d]pyran-9-one carrying four hydroxy substituents at positions 3, 4, 6a and 10. It has a role as a histological dye. It is a tertiary alcohol, an enol, a member of phenols, an organic heterotetracyclic compound and a member of quinomethanes.

CAS Number475-25-2
PubChem CID135403802
IUPAC Name4,6a,9,10-tetrahydroxy-6,7-dihydroindeno[2,1-c]chromen-3-one
Molecular FormulaC16H12O6
Molecular Weight300.26
XLogP-0.1
Topological Polar Surface Area107
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Heavy Atom Count22
Formal Charge0
Complexity645
SMILES
C1C2=CC(=C(C=C2C3=C4C=CC(=O)C(=C4OCC31O)O)O)O
InChI
InChI=1S/C16H12O6/c17-10-2-1-8-13-9-4-12(19)11(18)3-7(9)5-16(13,21)6-22-15(8)14(10)20/h1-4,18-21H,5-6H2
InChIKey
HNNSUZPWERIYIL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hematein
CAS: 475-25-2
CID: 135403802
Formula: C16H12O6
MW: 300.26
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight300.26
XLogP3-0.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Exact Mass300.06338810
Monoisotopic Mass300.06338810
Topological Polar Surface Area107 Ų
Heavy Atom Count22
Formal Charge0
Complexity645
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

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Alternative Products

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GT7429-50gHematein
HY-119751RHematein (Standard)
H00510-01Hematein 85%
TRC-H245653-1GHematein (Technical Grade)
451740-01Hematein (CI 75290)
H00515Hematein (stain) C.I. No. 75290

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