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17783-69-6 | 1H-Inden-2-ol, 2,3-dihydro-, 2-(4-methylbenzenesulfonate)
CAS No: 17783-69-6 Catalog No: AG0025L5 MDL No:
Product Description
Catalog Number:
AG0025L5
Chemical Name:
1H-Inden-2-ol, 2,3-dihydro-, 2-(4-methylbenzenesulfonate)
CAS Number:
17783-69-6
Molecular Formula:
C16H16O3S
Molecular Weight:
288.3614
IUPAC Name:
2,3-dihydro-1H-inden-2-yl 4-methylbenzenesulfonate
InChI:
InChI=1S/C16H16O3S/c1-12-6-8-16(9-7-12)20(17,18)19-15-10-13-4-2-3-5-14(13)11-15/h2-9,15H,10-11H2,1H3
InChI Key:
QUYCPYFNAZEWOT-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)OC1Cc2c(C1)cccc2
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.082g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.361g/mol
Monoisotopic Mass:
288.082g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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