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115162-42-0 | Acetic acid, 2-(9H-fluoren-9-ylthio)-, methyl ester
CAS No: 115162-42-0 Catalog No: AG000GCV MDL No:
Product Description
Catalog Number:
AG000GCV
Chemical Name:
Acetic acid, 2-(9H-fluoren-9-ylthio)-, methyl ester
CAS Number:
115162-42-0
Molecular Formula:
C16H14O2S
Molecular Weight:
270.3462
IUPAC Name:
methyl 2-(9H-fluoren-9-ylsulfanyl)acetate
InChI:
InChI=1S/C16H14O2S/c1-18-15(17)10-19-16-13-8-4-2-6-11(13)12-7-3-5-9-14(12)16/h2-9,16H,10H2,1H3
InChI Key:
JPIJDCAEINDVDN-UHFFFAOYSA-N
SMILES:
COC(=O)CSC1c2ccccc2c2c1cccc2
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.071g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.346g/mol
Monoisotopic Mass:
270.071g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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