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78394-39-5 | Pyridinium, 1-(acetyloxy)-4-methyl-, bromide
CAS No: 78394-39-5 Catalog No: AG0053K2 MDL No:
Product Description
Catalog Number:
AG0053K2
Chemical Name:
Pyridinium, 1-(acetyloxy)-4-methyl-, bromide
CAS Number:
78394-39-5
Molecular Formula:
C8H10BrNO2
Molecular Weight:
232.0745
IUPAC Name:
(4-methylpyridin-1-ium-1-yl) acetate;bromide
InChI:
InChI=1S/C8H10NO2.BrH/c1-7-3-5-9(6-4-7)11-8(2)10;/h3-6H,1-2H3;1H/q+1;/p-1
InChI Key:
WBCSZXSZPONQNO-UHFFFAOYSA-M
SMILES:
CC(=O)O[n+]1ccc(cc1)C.[Br-]
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.989g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.077g/mol
Monoisotopic Mass:
230.989g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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