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88940-75-4 | 2-Butanone, 4-(3-pyridinyl)-, hydrochloride
CAS No: 88940-75-4 Catalog No: AG0048E4 MDL No:
Product Description
Catalog Number:
AG0048E4
Chemical Name:
2-Butanone, 4-(3-pyridinyl)-, hydrochloride
CAS Number:
88940-75-4
Molecular Formula:
C9H12ClNO
Molecular Weight:
185.6507
IUPAC Name:
4-pyridin-3-ylbutan-2-one;hydrochloride
InChI:
InChI=1S/C9H11NO.ClH/c1-8(11)4-5-9-3-2-6-10-7-9;/h2-3,6-7H,4-5H2,1H3;1H
InChI Key:
SZCMQSIQTILWDD-UHFFFAOYSA-N
SMILES:
CC(=O)CCc1cccnc1.Cl
Properties
Complexity:
134
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.061g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
185.651g/mol
Monoisotopic Mass:
185.061g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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