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94445-74-6 | 4-(pyridin-2-yl)but-3-en-2-one, E
CAS No: 94445-74-6 Catalog No: AG01BELM MDL No:MFCD00634461
Product Description
Catalog Number:
AG01BELM
Chemical Name:
4-(pyridin-2-yl)but-3-en-2-one, E
CAS Number:
94445-74-6
Molecular Formula:
C9H9NO
Molecular Weight:
147.1739
MDL Number:
MFCD00634461
IUPAC Name:
(E)-4-pyridin-2-ylbut-3-en-2-one
InChI:
InChI=1S/C9H9NO/c1-8(11)5-6-9-4-2-3-7-10-9/h2-7H,1H3/b6-5+
InChI Key:
JUISYXGZHYDPNI-AATRIKPKSA-N
SMILES:
CC(=O)C=Cc1ccccn1
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
147.068g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
147.177g/mol
Monoisotopic Mass:
147.068g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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