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24476-58-2 | Ethanone, 1-(4-methyl-3-pyridinyl)-, hydrochloride (1:1)
CAS No: 24476-58-2 Catalog No: AG002OA5 MDL No:MFCD23135631
Product Description
Catalog Number:
AG002OA5
Chemical Name:
Ethanone, 1-(4-methyl-3-pyridinyl)-, hydrochloride (1:1)
CAS Number:
24476-58-2
Molecular Formula:
C8H10ClNO
Molecular Weight:
171.6241
MDL Number:
MFCD23135631
IUPAC Name:
1-(4-methylpyridin-3-yl)ethanone;hydrochloride
InChI:
InChI=1S/C8H9NO.ClH/c1-6-3-4-9-5-8(6)7(2)10;/h3-5H,1-2H3;1H
InChI Key:
KQDIFEFWYLAHNX-UHFFFAOYSA-N
SMILES:
CC(=O)c1cnccc1C.Cl
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.045g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
171.624g/mol
Monoisotopic Mass:
171.045g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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