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Home > Pyridines > 202808-92-2
202808-92-2 | 1-(pyridin-2-yl)hex-5-en-2-one
CAS No: 202808-92-2 Catalog No: AG01BUAT MDL No:MFCD20290727
Product Description
Catalog Number:
AG01BUAT
Chemical Name:
1-(pyridin-2-yl)hex-5-en-2-one
CAS Number:
202808-92-2
Molecular Formula:
C11H13NO
Molecular Weight:
175.2270
MDL Number:
MFCD20290727
IUPAC Name:
1-pyridin-2-ylhex-5-en-2-one
InChI:
InChI=1S/C11H13NO/c1-2-3-7-11(13)9-10-6-4-5-8-12-10/h2,4-6,8H,1,3,7,9H2
InChI Key:
HAAXSDCNFFYDHT-UHFFFAOYSA-N
SMILES:
C=CCCC(=O)Cc1ccccn1
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.1g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.231g/mol
Monoisotopic Mass:
175.1g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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