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6931-14-2

6931-14-2 | 2H-Pyrrole, 5-ethyl-3,4-dihydro-3,3-dimethyl-, 1-oxide

CAS No: 6931-14-2 Catalog No: AG006GF1 MDL No:

Product Description

Catalog Number:
AG006GF1
Chemical Name:
2H-Pyrrole, 5-ethyl-3,4-dihydro-3,3-dimethyl-, 1-oxide
CAS Number:
6931-14-2
Molecular Formula:
C8H15NO
Molecular Weight:
141.2108
IUPAC Name:
5-ethyl-3,3-dimethyl-1-oxido-2,4-dihydropyrrol-1-ium
InChI:
InChI=1S/C8H15NO/c1-4-7-5-8(2,3)6-9(7)10/h4-6H2,1-3H3
InChI Key:
RQPIFSHBHVMTMS-UHFFFAOYSA-N
SMILES:
CCC1=[N+]([O-])CC(C1)(C)C

Properties

Complexity:
170  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.115g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
141.214g/mol
Monoisotopic Mass:
141.115g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
28.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  

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