Maesopsin

CAT: 0926-FAA98916-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-FAA98916-02Size:10 mg

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CAS Number

5989-16-2

Smiles

C1=CC (=CC=C1CC2 (C (=O) C3=C (C=C (C=C3O2) O) O) O) O

Molecular Formula

C15H12O6

Molecular Weight

288.25 g/mol

Controlled

Chemical Information

Maesopsin

Maesopsin is a member of aurones.

CAS Number	5989-16-2
PubChem CID	160803
IUPAC Name	2,4,6-trihydroxy-2-[(4-hydroxyphenyl)methyl]-1-benzofuran-3-one
Molecular Formula	C15H12O6
Molecular Weight	288.25
XLogP	2.2
Topological Polar Surface Area	107
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Heavy Atom Count	21
Formal Charge	0
Complexity	405

SMILES

C1=CC(=CC=C1CC2(C(=O)C3=C(C=C(C=C3O2)O)O)O)O

InChI

InChI=1S/C15H12O6/c16-9-3-1-8(2-4-9)7-15(20)14(19)13-11(18)5-10(17)6-12(13)21-15/h1-6,16-18,20H,7H2

InChIKey

LOFYFDPXORJJEE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 5989-16-2

CID: 160803

Formula: C15H12O6

MW: 288.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	288.25
XLogP3	2.2
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	288.06338810
Monoisotopic Mass	288.06338810
Topological Polar Surface Area	107 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	405
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
T124581-01	Maesopsin