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1379324-13-6 | 4-(Methylthio)phenethyl acetate
CAS No: 1379324-13-6 Catalog No: AG01FEWC MDL No:
Product Description
Catalog Number:
AG01FEWC
Chemical Name:
4-(Methylthio)phenethyl acetate
CAS Number:
1379324-13-6
Molecular Formula:
C11H14O2S
Molecular Weight:
210.2927
IUPAC Name:
2-(4-methylsulfanylphenyl)ethyl acetate
InChI:
InChI=1S/C11H14O2S/c1-9(12)13-8-7-10-3-5-11(14-2)6-4-10/h3-6H,7-8H2,1-2H3
InChI Key:
VCIHJMFOFWBKDF-UHFFFAOYSA-N
SMILES:
CSc1ccc(cc1)CCOC(=O)C
Properties
Complexity:
174
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:
2.8
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