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141676-01-9 | 4-Penten-1-aminium, N,N,N-trimethyl-3-oxo-
CAS No: 141676-01-9 Catalog No: AG001GVB MDL No:
Product Description
Catalog Number:
AG001GVB
Chemical Name:
4-Penten-1-aminium, N,N,N-trimethyl-3-oxo-
CAS Number:
141676-01-9
Molecular Formula:
C8H16NO+
Molecular Weight:
142.2187
IUPAC Name:
trimethyl(3-oxopent-4-enyl)azanium
InChI:
InChI=1S/C8H16NO/c1-5-8(10)6-7-9(2,3)4/h5H,1,6-7H2,2-4H3/q+1
InChI Key:
VHJXEURRAPYRDU-UHFFFAOYSA-N
SMILES:
C=CC(=O)CC[N+](C)(C)C
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.123g/mol
Formal Charge:
1
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
142.222g/mol
Monoisotopic Mass:
142.123g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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