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Home > Pyridines > 1344285-77-3
1344285-77-3 | 1-(pyridin-2-yl)hept-6-en-2-one
CAS No: 1344285-77-3 Catalog No: AG01BUB4 MDL No:MFCD20290728
Product Description
Catalog Number:
AG01BUB4
Chemical Name:
1-(pyridin-2-yl)hept-6-en-2-one
CAS Number:
1344285-77-3
Molecular Formula:
C12H15NO
Molecular Weight:
189.2536
MDL Number:
MFCD20290728
IUPAC Name:
1-pyridin-2-ylhept-6-en-2-one
InChI:
InChI=1S/C12H15NO/c1-2-3-4-8-12(14)10-11-7-5-6-9-13-11/h2,5-7,9H,1,3-4,8,10H2
InChI Key:
DEZSSMYSMHMOAI-UHFFFAOYSA-N
SMILES:
C=CCCCC(=O)Cc1ccccn1
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.115g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.258g/mol
Monoisotopic Mass:
189.115g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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