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166978-00-3 | 1H-Inden-1-one, 2,3-dihydro-6-hydroxy-3,3-dimethyl-
CAS No: 166978-00-3 Catalog No: AG001X2B MDL No:
Product Description
Catalog Number:
AG001X2B
Chemical Name:
1H-Inden-1-one, 2,3-dihydro-6-hydroxy-3,3-dimethyl-
CAS Number:
166978-00-3
Molecular Formula:
C11H12O2
Molecular Weight:
176.2118
IUPAC Name:
6-hydroxy-3,3-dimethyl-2H-inden-1-one
InChI:
InChI=1S/C11H12O2/c1-11(2)6-10(13)8-5-7(12)3-4-9(8)11/h3-5,12H,6H2,1-2H3
InChI Key:
QFXMNGLZHJLQRO-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)C(=O)CC2(C)C
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.084g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
176.215g/mol
Monoisotopic Mass:
176.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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