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28596-58-9 | 1H-Inden-1-one, 2,3-dihydro-5-methoxy-4-methyl-
CAS No: 28596-58-9 Catalog No: AG002VSF MDL No:
Product Description
Catalog Number:
AG002VSF
Chemical Name:
1H-Inden-1-one, 2,3-dihydro-5-methoxy-4-methyl-
CAS Number:
28596-58-9
Molecular Formula:
C11H12O2
Molecular Weight:
176.2118
IUPAC Name:
5-methoxy-4-methyl-2,3-dihydroinden-1-one
InChI:
InChI=1S/C11H12O2/c1-7-8-3-5-10(12)9(8)4-6-11(7)13-2/h4,6H,3,5H2,1-2H3
InChI Key:
MKVVZHDZJZAYPH-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1C)CCC2=O
Properties
Complexity:
212
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:
0
Isotope Atom Count:
0
Molecular Weight:
176.215g/mol
Monoisotopic Mass:
176.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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