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85524-71-6 | 1H-Inden-1-one, 2,3-dihydro-5,6-dihydroxy-2-methyl-2-phenyl-
CAS No: 85524-71-6 Catalog No: AG004USY MDL No:
Product Description
Catalog Number:
AG004USY
Chemical Name:
1H-Inden-1-one, 2,3-dihydro-5,6-dihydroxy-2-methyl-2-phenyl-
CAS Number:
85524-71-6
Molecular Formula:
C16H14O3
Molecular Weight:
254.2806
IUPAC Name:
5,6-dihydroxy-2-methyl-2-phenyl-3H-inden-1-one
InChI:
InChI=1S/C16H14O3/c1-16(11-5-3-2-4-6-11)9-10-7-13(17)14(18)8-12(10)15(16)19/h2-8,17-18H,9H2,1H3
InChI Key:
LFXFDJNDISABHJ-UHFFFAOYSA-N
SMILES:
Oc1cc2c(cc1O)CC(C2=O)(C)c1ccccc1
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.094g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
254.285g/mol
Monoisotopic Mass:
254.094g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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