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147726-43-0 | 1H-Inden-1-one, 2,3-dihydro-2-[methoxy(methylthio)methylene]-, (Z)- (9CI)
CAS No: 147726-43-0 Catalog No: AG001F63 MDL No:
Product Description
Catalog Number:
AG001F63
Chemical Name:
1H-Inden-1-one, 2,3-dihydro-2-[methoxy(methylthio)methylene]-, (Z)- (9CI)
CAS Number:
147726-43-0
Molecular Formula:
C12H12O2S
Molecular Weight:
220.2875
IUPAC Name:
2-[methoxy(methylsulfanyl)methylidene]-3H-inden-1-one
InChI:
InChI=1S/C12H12O2S/c1-14-12(15-2)10-7-8-5-3-4-6-9(8)11(10)13/h3-6H,7H2,1-2H3
InChI Key:
YGWCZZFYAWJGFH-UHFFFAOYSA-N
SMILES:
CO/C(=C/1\Cc2c(C1=O)cccc2)/SC
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.056g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.286g/mol
Monoisotopic Mass:
220.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.6
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