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6342-80-9 | 4,5-Dimethoxy-2,3-dihydro-1H-inden-1-one
CAS No: 6342-80-9 Catalog No: AG003KI6 MDL No:MFCD00463187
Product Description
Catalog Number:
AG003KI6
Chemical Name:
4,5-Dimethoxy-2,3-dihydro-1H-inden-1-one
CAS Number:
6342-80-9
Molecular Formula:
C11H12O3
Molecular Weight:
192.2112
MDL Number:
MFCD00463187
IUPAC Name:
4,5-dimethoxy-2,3-dihydroinden-1-one
InChI:
InChI=1S/C11H12O3/c1-13-10-6-4-7-8(11(10)14-2)3-5-9(7)12/h4,6H,3,5H2,1-2H3
InChI Key:
XQODIRIVQXQUFN-UHFFFAOYSA-N
SMILES:
COc1c(OC)ccc2c1CCC2=O
NSC Number:
46649
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
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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