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Lacmoid (C.I. 51400)

CAT: 0862-GT5015-25gSize: 25 gDry Ice: NoHazardous: No
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CAT#:0862-GT5015-25gSize:25 g
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CAS Number
33869-21-5
MDL Number
MFCD00005035
HS Code
2934999090
Molecular Formula
C24H16N2O6
Molecular Weight
857.77
Storage Conditions
+20°C
Hazardous Class
Not hazardous

Chemical Information

7-Amino-2,8-bis(2,4-dihydroxyphenyl)phenoxazin-3-one

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CAS Number33869-21-5
PubChem CID3940532
IUPAC Name7-amino-2,8-bis(2,4-dihydroxyphenyl)phenoxazin-3-one
Molecular FormulaC24H16N2O6
Molecular Weight428.4
XLogP2.6
Topological Polar Surface Area146
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Heavy Atom Count32
Formal Charge0
Complexity853
SMILES
C1=CC(=C(C=C1O)O)C2=CC3=C(C=C2N)OC4=CC(=O)C(=CC4=N3)C5=C(C=C(C=C5)O)O
InChI
InChI=1S/C24H16N2O6/c25-17-9-23-18(7-15(17)13-3-1-11(27)5-20(13)29)26-19-8-16(22(31)10-24(19)32-23)14-4-2-12(28)6-21(14)30/h1-10,27-30H,25H2
InChIKey
ABNVFGQXCGFSFH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7-Amino-2,8-bis(2,4-dihydroxyphenyl)phenoxazin-3-one
CAS: 33869-21-5
CID: 3940532
Formula: C24H16N2O6
MW: 428.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight428.4
XLogP32.6
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Exact Mass428.10083623
Monoisotopic Mass428.10083623
Topological Polar Surface Area146 Ų
Heavy Atom Count32
Formal Charge0
Complexity853
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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