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146679-52-9 | 2H-Pyrrole, 3,4-dihydro-2-methyl-, 1-oxide
CAS No: 146679-52-9 Catalog No: AG001E7F MDL No:
Product Description
Catalog Number:
AG001E7F
Chemical Name:
2H-Pyrrole, 3,4-dihydro-2-methyl-, 1-oxide
CAS Number:
146679-52-9
Molecular Formula:
C5H9NO
Molecular Weight:
99.1311
IUPAC Name:
2-methyl-1-oxido-3,4-dihydro-2H-pyrrol-1-ium
InChI:
InChI=1S/C5H9NO/c1-5-3-2-4-6(5)7/h4-5H,2-3H2,1H3
InChI Key:
CCASPWMLIWTWPX-UHFFFAOYSA-N
SMILES:
[O-][N+]1=CCCC1C
Properties
Complexity:
98.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
99.068g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
99.133g/mol
Monoisotopic Mass:
99.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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