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89587-13-3 | 1-Pyrrolidinecarboxaldehyde, 3-[(dimethylamino)methylene]-2-oxo-
CAS No: 89587-13-3 Catalog No: AG003XER MDL No:
Product Description
Catalog Number:
AG003XER
Chemical Name:
1-Pyrrolidinecarboxaldehyde, 3-[(dimethylamino)methylene]-2-oxo-
CAS Number:
89587-13-3
Molecular Formula:
C8H12N2O2
Molecular Weight:
168.1931
IUPAC Name:
3-(dimethylaminomethylidene)-2-oxopyrrolidine-1-carbaldehyde
InChI:
InChI=1S/C8H12N2O2/c1-9(2)5-7-3-4-10(6-11)8(7)12/h5-6H,3-4H2,1-2H3
InChI Key:
PCQYUVPFPITWJK-UHFFFAOYSA-N
SMILES:
O=CN1CCC(=CN(C)C)C1=O
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.09g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.196g/mol
Monoisotopic Mass:
168.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
-0.1
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