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197247-43-1 | Propanoic acid, 3-[(4-methylphenyl)thio]-, methyl ester
CAS No: 197247-43-1 Catalog No: AG002AOS MDL No:
Product Description
Catalog Number:
AG002AOS
Chemical Name:
Propanoic acid, 3-[(4-methylphenyl)thio]-, methyl ester
CAS Number:
197247-43-1
Molecular Formula:
C11H14O2S
Molecular Weight:
210.2927
IUPAC Name:
methyl 3-(4-methylphenyl)sulfanylpropanoate
InChI:
InChI=1S/C11H14O2S/c1-9-3-5-10(6-4-9)14-8-7-11(12)13-2/h3-6H,7-8H2,1-2H3
InChI Key:
IIUVCODBTXABTG-UHFFFAOYSA-N
SMILES:
COC(=O)CCSc1ccc(cc1)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:
2.6
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