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13309-33-6 | Pyridinium, 3-(aminocarbonyl)-1-propyl-
CAS No: 13309-33-6 Catalog No: AG00148X MDL No:
Product Description
Catalog Number:
AG00148X
Chemical Name:
Pyridinium, 3-(aminocarbonyl)-1-propyl-
CAS Number:
13309-33-6
Molecular Formula:
C9H13N2O+
Molecular Weight:
165.2123
IUPAC Name:
1-propylpyridin-1-ium-3-carboxamide
InChI:
InChI=1S/C9H12N2O/c1-2-5-11-6-3-4-8(7-11)9(10)12/h3-4,6-7H,2,5H2,1H3,(H-,10,12)/p+1
InChI Key:
XCNUBVXQXQAXSZ-UHFFFAOYSA-O
SMILES:
CCC[n+]1cccc(c1)C(=O)N
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.103g/mol
Formal Charge:
1
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
165.216g/mol
Monoisotopic Mass:
165.103g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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