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40321-44-6 | 2-Oxo-1-pyrrolidinecarboxaldehyde
CAS No: 40321-44-6 Catalog No: AG00378S MDL No:
Product Description
Catalog Number:
AG00378S
Chemical Name:
2-Oxo-1-pyrrolidinecarboxaldehyde
CAS Number:
40321-44-6
Molecular Formula:
C5H7NO2
Molecular Weight:
113.1146
IUPAC Name:
2-oxopyrrolidine-1-carbaldehyde
InChI:
InChI=1S/C5H7NO2/c7-4-6-3-1-2-5(6)8/h4H,1-3H2
InChI Key:
XALHICXNSREUAV-UHFFFAOYSA-N
SMILES:
O=CN1CCCC1=O
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
113.048g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
113.116g/mol
Monoisotopic Mass:
113.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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