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1685-81-0 | 1H-Inden-1-one, 2,3-dihydro-4,6-dimethyl-
CAS No: 1685-81-0 Catalog No: AG001Y46 MDL No:
Product Description
Catalog Number:
AG001Y46
Chemical Name:
1H-Inden-1-one, 2,3-dihydro-4,6-dimethyl-
CAS Number:
1685-81-0
Molecular Formula:
C11H12O
Molecular Weight:
160.2124
IUPAC Name:
4,6-dimethyl-2,3-dihydroinden-1-one
InChI:
InChI=1S/C11H12O/c1-7-5-8(2)9-3-4-11(12)10(9)6-7/h5-6H,3-4H2,1-2H3
InChI Key:
CXWJSLVFUZGIAN-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c2c(c1)C(=O)CC2
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.089g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.216g/mol
Monoisotopic Mass:
160.089g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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