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850649-40-0 | 2-Pyrrolidinecarboxaldehyde, 5-methoxy-1-[(4-methylphenyl)sulfonyl]-
CAS No: 850649-40-0 Catalog No: AG004OPC MDL No:
Product Description
Catalog Number:
AG004OPC
Chemical Name:
2-Pyrrolidinecarboxaldehyde, 5-methoxy-1-[(4-methylphenyl)sulfonyl]-
CAS Number:
850649-40-0
Molecular Formula:
C13H17NO4S
Molecular Weight:
283.3434
IUPAC Name:
5-methoxy-1-(4-methylphenyl)sulfonylpyrrolidine-2-carbaldehyde
InChI:
InChI=1S/C13H17NO4S/c1-10-3-6-12(7-4-10)19(16,17)14-11(9-15)5-8-13(14)18-2/h3-4,6-7,9,11,13H,5,8H2,1-2H3
InChI Key:
SHYHYFZNZQTOSJ-UHFFFAOYSA-N
SMILES:
COC1CCC(N1S(=O)(=O)c1ccc(cc1)C)C=O
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.088g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.342g/mol
Monoisotopic Mass:
283.088g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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