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Home > Other Building Blocks > 13336-32-8
13336-32-8 | 1H-Inden-1-one, 2,3-dihydro-4,6-dimethoxy-
CAS No: 13336-32-8 Catalog No: AG0014QQ MDL No:
Product Description
Catalog Number:
AG0014QQ
Chemical Name:
1H-Inden-1-one, 2,3-dihydro-4,6-dimethoxy-
CAS Number:
13336-32-8
Molecular Formula:
C11H12O3
Molecular Weight:
192.2112
IUPAC Name:
4,6-dimethoxy-2,3-dihydroinden-1-one
InChI:
InChI=1S/C11H12O3/c1-13-7-5-9-8(3-4-10(9)12)11(6-7)14-2/h5-6H,3-4H2,1-2H3
InChI Key:
YIZGATRDPJVJID-UHFFFAOYSA-N
SMILES:
COc1cc(OC)c2c(c1)C(=O)CC2
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.214g/mol
Monoisotopic Mass:
192.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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