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101020-62-6 | 1H-Inden-2-ol, 2,3-dihydro-1-(methylthio)-
CAS No: 101020-62-6 Catalog No: AG0003KU MDL No:
Product Description
Catalog Number:
AG0003KU
Chemical Name:
1H-Inden-2-ol, 2,3-dihydro-1-(methylthio)-
CAS Number:
101020-62-6
Molecular Formula:
C10H12OS
Molecular Weight:
180.2667
IUPAC Name:
1-methylsulfanyl-2,3-dihydro-1H-inden-2-ol
InChI:
InChI=1S/C10H12OS/c1-12-10-8-5-3-2-4-7(8)6-9(10)11/h2-5,9-11H,6H2,1H3
InChI Key:
IXADDFRHAWPXPL-UHFFFAOYSA-N
SMILES:
CSC1C(O)Cc2c1cccc2
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.061g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.265g/mol
Monoisotopic Mass:
180.061g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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