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23271-47-8 | Pyridinium, 1-propyl-, chloride (1:1)
CAS No: 23271-47-8 Catalog No: AG002MR8 MDL No:MFCD06797153
Product Description
Catalog Number:
AG002MR8
Chemical Name:
Pyridinium, 1-propyl-, chloride (1:1)
CAS Number:
23271-47-8
Molecular Formula:
C8H12ClN
Molecular Weight:
157.6406
MDL Number:
MFCD06797153
IUPAC Name:
1-propylpyridin-1-ium;chloride
InChI:
InChI=1S/C8H12N.ClH/c1-2-6-9-7-4-3-5-8-9;/h3-5,7-8H,2,6H2,1H3;1H/q+1;/p-1
InChI Key:
IBOIUWAYPMADRC-UHFFFAOYSA-M
SMILES:
CCC[n+]1ccccc1.[Cl-]
Properties
Complexity:
65
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.066g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
157.641g/mol
Monoisotopic Mass:
157.066g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
3.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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