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1260013-45-3 | 1H-Inden-1-one, 2,3-dihydro-6-hydroxy-5-methyl-
CAS No: 1260013-45-3 Catalog No: AG000QQ1 MDL No:
Product Description
Catalog Number:
AG000QQ1
Chemical Name:
1H-Inden-1-one, 2,3-dihydro-6-hydroxy-5-methyl-
CAS Number:
1260013-45-3
Molecular Formula:
C10H10O2
Molecular Weight:
162.1852
IUPAC Name:
6-hydroxy-5-methyl-2,3-dihydroinden-1-one
InChI:
InChI=1S/C10H10O2/c1-6-4-7-2-3-9(11)8(7)5-10(6)12/h4-5,12H,2-3H2,1H3
InChI Key:
CNALJATYIURCEI-UHFFFAOYSA-N
SMILES:
O=C1CCc2c1cc(O)c(c2)C
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.068g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
162.188g/mol
Monoisotopic Mass:
162.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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