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69966-56-9 | 2-Propanone, 1-(3-pyridinyl)-, hydrochloride
CAS No: 69966-56-9 Catalog No: AG00FGH0 MDL No:MFCD06796172
Product Description
Catalog Number:
AG00FGH0
Chemical Name:
2-Propanone, 1-(3-pyridinyl)-, hydrochloride
CAS Number:
69966-56-9
Molecular Formula:
C8H10ClNO
Molecular Weight:
171.6241
MDL Number:
MFCD06796172
IUPAC Name:
1-pyridin-3-ylpropan-2-one;hydrochloride
InChI:
InChI=1S/C8H9NO.ClH/c1-7(10)5-8-3-2-4-9-6-8;/h2-4,6H,5H2,1H3;1H
InChI Key:
XFCBHJHQYPNYHS-UHFFFAOYSA-N
SMILES:
CC(=O)Cc1cccnc1.Cl
Properties
Complexity:
122
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:
2
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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