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16718-42-6 | 1H-Inden-1-one, 2,3-dihydro-4,5,6-trimethoxy-
CAS No: 16718-42-6 Catalog No: AG001X6P MDL No:MFCD00757261
Product Description
Catalog Number:
AG001X6P
Chemical Name:
1H-Inden-1-one, 2,3-dihydro-4,5,6-trimethoxy-
CAS Number:
16718-42-6
Molecular Formula:
C12H14O4
Molecular Weight:
222.2372
MDL Number:
MFCD00757261
IUPAC Name:
4,5,6-trimethoxy-2,3-dihydroinden-1-one
InChI:
InChI=1S/C12H14O4/c1-14-10-6-8-7(4-5-9(8)13)11(15-2)12(10)16-3/h6H,4-5H2,1-3H3
InChI Key:
WAYMAQYXINVUDB-UHFFFAOYSA-N
SMILES:
COc1cc2C(=O)CCc2c(c1OC)OC
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.089g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.24g/mol
Monoisotopic Mass:
222.089g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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