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Dehydroaltenusin 10mg

CAT: 0628-A21804-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0628-A21804-10Size:10 mg
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CAS Number
31186-13-7

Chemical Information

Dehydroaltenusin

structure given in first source

CAS Number31186-13-7
PubChem CID14824648
IUPAC Name(4aS)-3,7-dihydroxy-9-methoxy-4a-methylbenzo[c]chromene-2,6-dione
Molecular FormulaC15H12O6
Molecular Weight288.25
XLogP1.7
Topological Polar Surface Area93.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count21
Formal Charge0
Complexity563
SMILES
C[C@]12C=C(C(=O)C=C1C3=C(C(=CC(=C3)OC)O)C(=O)O2)O
InChI
InChI=1S/C15H12O6/c1-15-6-12(18)10(16)5-9(15)8-3-7(20-2)4-11(17)13(8)14(19)21-15/h3-6,17-18H,1-2H3/t15-/m0/s1
InChIKey
YWYZLBQRCUAQAV-HNNXBMFYSA-N
Chemical Structure
2D Structure
2D structure of Dehydroaltenusin
CAS: 31186-13-7
CID: 14824648
Formula: C15H12O6
MW: 288.25
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight288.25
XLogP31.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass288.06338810
Monoisotopic Mass288.06338810
Topological Polar Surface Area93.1 Ų
Heavy Atom Count21
Formal Charge0
Complexity563
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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