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306935-34-2 | Acetic acid, 2-[(3-pyridinylmethyl)thio]-, methyl ester
CAS No: 306935-34-2 Catalog No: AG0030UJ MDL No:MFCD00831043
Product Description
Catalog Number:
AG0030UJ
Chemical Name:
Acetic acid, 2-[(3-pyridinylmethyl)thio]-, methyl ester
CAS Number:
306935-34-2
Molecular Formula:
C9H11NO2S
Molecular Weight:
197.2541
MDL Number:
MFCD00831043
IUPAC Name:
methyl 2-(pyridin-3-ylmethylsulfanyl)acetate
InChI:
InChI=1S/C9H11NO2S/c1-12-9(11)7-13-6-8-3-2-4-10-5-8/h2-5H,6-7H2,1H3
InChI Key:
OCFOEGVGGPQUAK-UHFFFAOYSA-N
SMILES:
COC(=O)CSCc1cccnc1
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.051g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.252g/mol
Monoisotopic Mass:
197.051g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
64.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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