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Home > Aldehydes > 144085-12-1
144085-12-1 | 2-Pyrrolidinecarboxaldehyde, 1-(1-butenyl)-5-oxo-, (S)- (9CI)
CAS No: 144085-12-1 Catalog No: AG001IWS MDL No:
Product Description
Catalog Number:
AG001IWS
Chemical Name:
2-Pyrrolidinecarboxaldehyde, 1-(1-butenyl)-5-oxo-, (S)- (9CI)
CAS Number:
144085-12-1
Molecular Formula:
C9H13NO2
Molecular Weight:
167.2050
IUPAC Name:
(2S)-1-[(E)-but-1-enyl]-5-oxopyrrolidine-2-carbaldehyde
InChI:
InChI=1S/C9H13NO2/c1-2-3-6-10-8(7-11)4-5-9(10)12/h3,6-8H,2,4-5H2,1H3/b6-3+/t8-/m0/s1
InChI Key:
XBZXCYXZINUSAX-HFSLJOEWSA-N
SMILES:
CCC=CN1[C@H](C=O)CCC1=O
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
1
Exact Mass:
167.095g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.208g/mol
Monoisotopic Mass:
167.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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