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88218-12-6

88218-12-6 | 2-Pyrrolidinecarboxaldehyde, (2S)-

CAS No: 88218-12-6 Catalog No: AG008BC1 MDL No:

Product Description

Catalog Number:
AG008BC1
Chemical Name:
2-Pyrrolidinecarboxaldehyde, (2S)-
CAS Number:
88218-12-6
Molecular Formula:
C5H9NO
Molecular Weight:
99.1311
IUPAC Name:
(2S)-pyrrolidine-2-carbaldehyde
InChI:
InChI=1S/C5H9NO/c7-4-5-2-1-3-6-5/h4-6H,1-3H2/t5-/m0/s1
InChI Key:
JIDDDPVQQUHACU-YFKPBYRVSA-N
SMILES:
O=C[C@@H]1CCCN1

Properties

Complexity:
72.5  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
99.068g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
99.133g/mol
Monoisotopic Mass:
99.068g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  

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