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2609-84-9 | 4-(pyridin-2-yl)but-3-en-2-one hydrochloride
CAS No: 2609-84-9 Catalog No: AG01B8UV MDL No:
Product Description
Catalog Number:
AG01B8UV
Chemical Name:
4-(pyridin-2-yl)but-3-en-2-one hydrochloride
CAS Number:
2609-84-9
Molecular Formula:
C9H10ClNO
Molecular Weight:
183.6348
IUPAC Name:
4-pyridin-2-ylbut-3-en-2-one;hydrochloride
InChI:
InChI=1S/C9H9NO.ClH/c1-8(11)5-6-9-4-2-3-7-10-9;/h2-7H,1H3;1H
InChI Key:
BMVYTBSULRIIRN-UHFFFAOYSA-N
SMILES:
CC(=O)C=Cc1ccccn1.Cl
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.045g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
183.635g/mol
Monoisotopic Mass:
183.045g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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