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1379040-17-1 | 3-(Methylthio)phenethyl acetate
CAS No: 1379040-17-1 Catalog No: AG01FEVZ MDL No:
Product Description
Catalog Number:
AG01FEVZ
Chemical Name:
3-(Methylthio)phenethyl acetate
CAS Number:
1379040-17-1
Molecular Formula:
C11H14O2S
Molecular Weight:
210.2927
IUPAC Name:
2-(3-methylsulfanylphenyl)ethyl acetate
InChI:
InChI=1S/C11H14O2S/c1-9(12)13-7-6-10-4-3-5-11(8-10)14-2/h3-5,8H,6-7H2,1-2H3
InChI Key:
LRQZLNRAHFXTFO-UHFFFAOYSA-N
SMILES:
CSc1cccc(c1)CCOC(=O)C
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.071g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.291g/mol
Monoisotopic Mass:
210.071g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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