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99557-24-1

99557-24-1 | 5-OXO-1-(2-PROPYNYL)-2-PYRROLIDINECARBOXALDEHYDE

CAS No: 99557-24-1 Catalog No: AG00651F MDL No:

Product Description

Catalog Number:
AG00651F
Chemical Name:
5-OXO-1-(2-PROPYNYL)-2-PYRROLIDINECARBOXALDEHYDE
CAS Number:
99557-24-1
Molecular Formula:
C8H9NO2
Molecular Weight:
151.1626
IUPAC Name:
5-oxo-1-prop-2-ynylpyrrolidine-2-carbaldehyde
InChI:
InChI=1S/C8H9NO2/c1-2-5-9-7(6-10)3-4-8(9)11/h1,6-7H,3-5H2
InChI Key:
ISMZAIDWSPHSKA-UHFFFAOYSA-N
SMILES:
C#CCN1C(C=O)CCC1=O

Properties

Complexity:
226  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.063g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
151.165g/mol
Monoisotopic Mass:
151.063g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5  

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