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85213-22-5

85213-22-5 | 1-(3,4-Dihydro-2H-pyrrol-5-yl)ethanone

CAS No: 85213-22-5 Catalog No: AG0038E7 MDL No:MFCD09864890

Product Description

Catalog Number:
AG0038E7
Chemical Name:
1-(3,4-Dihydro-2H-pyrrol-5-yl)ethanone
CAS Number:
85213-22-5
Molecular Formula:
C6H9NO
Molecular Weight:
111.1418
MDL Number:
MFCD09864890
IUPAC Name:
1-(3,4-dihydro-2H-pyrrol-5-yl)ethanone
InChI:
InChI=1S/C6H9NO/c1-5(8)6-3-2-4-7-6/h2-4H2,1H3
InChI Key:
DQBQWWSFRPLIAX-UHFFFAOYSA-N
SMILES:
CC(=O)C1=NCCC1

Properties

Complexity:
138  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
111.068g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
111.144g/mol
Monoisotopic Mass:
111.068g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4  

Literature

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