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174747-39-8 | 3-Pyrrolidinecarboxylic acid, 1-methyl-5-thioxo-, methyl ester
CAS No: 174747-39-8 Catalog No: AG001ZWJ MDL No:MFCD10703536
Product Description
Catalog Number:
AG001ZWJ
Chemical Name:
3-Pyrrolidinecarboxylic acid, 1-methyl-5-thioxo-, methyl ester
CAS Number:
174747-39-8
Molecular Formula:
C7H11NO2S
Molecular Weight:
173.2327
MDL Number:
MFCD10703536
IUPAC Name:
methyl 1-methyl-5-sulfanylidenepyrrolidine-3-carboxylate
InChI:
InChI=1S/C7H11NO2S/c1-8-4-5(3-6(8)11)7(9)10-2/h5H,3-4H2,1-2H3
InChI Key:
PYOWOXIUSHZYAX-UHFFFAOYSA-N
SMILES:
COC(=O)C1CC(=S)N(C1)C
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.051g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
173.23g/mol
Monoisotopic Mass:
173.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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