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Home > Pyridines > 1955553-23-7
1955553-23-7 | 1-ethyl-4-(hydroxymethyl)-5-(pyridin-3-yl)pyrrolidin-2-one
CAS No: 1955553-23-7 Catalog No: AG01B4Q6 MDL No:MFCD30180912
Product Description
Catalog Number:
AG01B4Q6
Chemical Name:
1-ethyl-4-(hydroxymethyl)-5-(pyridin-3-yl)pyrrolidin-2-one
CAS Number:
1955553-23-7
Molecular Formula:
C12H16N2O2
Molecular Weight:
220.2676
MDL Number:
MFCD30180912
IUPAC Name:
1-ethyl-4-(hydroxymethyl)-5-pyridin-3-ylpyrrolidin-2-one
InChI:
InChI=1S/C12H16N2O2/c1-2-14-11(16)6-10(8-15)12(14)9-4-3-5-13-7-9/h3-5,7,10,12,15H,2,6,8H2,1H3
InChI Key:
SMQMOYAXAWTUKQ-UHFFFAOYSA-N
SMILES:
OCC1CC(=O)N(C1c1cccnc1)CC
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.121g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.272g/mol
Monoisotopic Mass:
220.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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