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69298-85-7

69298-85-7 | 2,5-Cyclohexadien-1-one, 2-acetyl-3,5-dihydroxy-4,4,6-trimethyl-

CAS No: 69298-85-7 Catalog No: AG006GGS MDL No:

Product Description

Catalog Number:
AG006GGS
Chemical Name:
2,5-Cyclohexadien-1-one, 2-acetyl-3,5-dihydroxy-4,4,6-trimethyl-
CAS Number:
69298-85-7
Molecular Formula:
C11H14O4
Molecular Weight:
210.2265
IUPAC Name:
2-acetyl-3,5-dihydroxy-4,6,6-trimethylcyclohexa-2,4-dien-1-one
InChI:
InChI=1S/C11H14O4/c1-5-8(13)7(6(2)12)10(15)11(3,4)9(5)14/h13-14H,1-4H3
InChI Key:
FNQHCLOXMUUTGP-UHFFFAOYSA-N
SMILES:
CC(=O)C1=C(O)C(C(=C(C1=O)C)O)(C)C

Properties

Complexity:
410  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.089g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
210.229g/mol
Monoisotopic Mass:
210.089g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  

Literature

Title Journal
Total synthesis and bioactivity of unique flavone desmosdumotin B and its analogs. Bioorganic & medicinal chemistry letters 20050615

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