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14738-26-2 | m-Tolylsulfanyl-acetic acid ethyl ester
CAS No: 14738-26-2 Catalog No: AG01FCFO MDL No:MFCD14599534
Product Description
Catalog Number:
AG01FCFO
Chemical Name:
m-Tolylsulfanyl-acetic acid ethyl ester
CAS Number:
14738-26-2
Molecular Formula:
C11H14O2S
Molecular Weight:
210.2927
MDL Number:
MFCD14599534
IUPAC Name:
ethyl 2-(3-methylphenyl)sulfanylacetate
InChI:
InChI=1S/C11H14O2S/c1-3-13-11(12)8-14-10-6-4-5-9(2)7-10/h4-7H,3,8H2,1-2H3
InChI Key:
HJSPKJGIDKTQSR-UHFFFAOYSA-N
SMILES:
CCOC(=O)CSc1cccc(c1)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:
3.1
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