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113561-35-6 | Benzo[b]benzo[3,4]cyclobuta[1,2-d]furan-4(1H)-one, 2,3,4a,9c-tetrahydro-8-hydroxy-6,7,9-trimethyl-
CAS No: 113561-35-6 Catalog No: AG0008ZM MDL No:
Product Description
Catalog Number:
AG0008ZM
Chemical Name:
Benzo[b]benzo[3,4]cyclobuta[1,2-d]furan-4(1H)-one, 2,3,4a,9c-tetrahydro-8-hydroxy-6,7,9-trimethyl-
CAS Number:
113561-35-6
Molecular Formula:
C17H18O3
Molecular Weight:
270.3230
IUPAC Name:
4-hydroxy-3,5,6-trimethyl-8-oxatetracyclo[7.6.0.02,7.010,15]pentadeca-1(9),2(7),3,5-tetraen-11-one
InChI:
InChI=1S/C17H18O3/c1-7-8(2)16-12(9(3)15(7)19)14-10-5-4-6-11(18)13(10)17(14)20-16/h10,13,19H,4-6H2,1-3H3
InChI Key:
HQAFWXJIGCEVHM-UHFFFAOYSA-N
SMILES:
O=C1CCCC2C1c1c2c2c(o1)c(C)c(c(c2C)O)C
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.126g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
270.328g/mol
Monoisotopic Mass:
270.126g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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