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115859-57-9 | 2-Pyrrolidinecarboxaldehyde, 1-benzoyl-4-methyl-
CAS No: 115859-57-9 Catalog No: AG000GYJ MDL No:
Product Description
Catalog Number:
AG000GYJ
Chemical Name:
2-Pyrrolidinecarboxaldehyde, 1-benzoyl-4-methyl-
CAS Number:
115859-57-9
Molecular Formula:
C13H15NO2
Molecular Weight:
217.2637
IUPAC Name:
1-benzoyl-4-methylpyrrolidine-2-carbaldehyde
InChI:
InChI=1S/C13H15NO2/c1-10-7-12(9-15)14(8-10)13(16)11-5-3-2-4-6-11/h2-6,9-10,12H,7-8H2,1H3
InChI Key:
RLGZXYSGYHGPFY-UHFFFAOYSA-N
SMILES:
O=CC1CC(CN1C(=O)c1ccccc1)C
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.11g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.268g/mol
Monoisotopic Mass:
217.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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