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Home > Aldehydes > 879874-15-4
879874-15-4 | 2-Pyrrolidinecarboxaldehyde, 5-ethoxy-1-[(4-methylphenyl)sulfonyl]-
CAS No: 879874-15-4 Catalog No: AG004LLZ MDL No:
Product Description
Catalog Number:
AG004LLZ
Chemical Name:
2-Pyrrolidinecarboxaldehyde, 5-ethoxy-1-[(4-methylphenyl)sulfonyl]-
CAS Number:
879874-15-4
Molecular Formula:
C14H19NO4S
Molecular Weight:
297.3700
IUPAC Name:
5-ethoxy-1-(4-methylphenyl)sulfonylpyrrolidine-2-carbaldehyde
InChI:
InChI=1S/C14H19NO4S/c1-3-19-14-9-6-12(10-16)15(14)20(17,18)13-7-4-11(2)5-8-13/h4-5,7-8,10,12,14H,3,6,9H2,1-2H3
InChI Key:
KNWQMXSRKLNRKC-UHFFFAOYSA-N
SMILES:
CCOC1CCC(N1S(=O)(=O)c1ccc(cc1)C)C=O
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.103g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.369g/mol
Monoisotopic Mass:
297.103g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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