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60975-82-8 | 1-PYRIDIN-2-YL-HEPTAN-1-ONE
CAS No: 60975-82-8 Catalog No: AG00EEOK MDL No:MFCD00778377
Product Description
Catalog Number:
AG00EEOK
Chemical Name:
1-PYRIDIN-2-YL-HEPTAN-1-ONE
CAS Number:
60975-82-8
Molecular Formula:
C12H17NO
Molecular Weight:
191.2695
MDL Number:
MFCD00778377
IUPAC Name:
1-pyridin-2-ylheptan-1-one
InChI:
InChI=1S/C12H17NO/c1-2-3-4-5-9-12(14)11-8-6-7-10-13-11/h6-8,10H,2-5,9H2,1H3
InChI Key:
RDLKKRWBZLFOAU-UHFFFAOYSA-N
SMILES:
CCCCCCC(=O)c1ccccn1
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.131g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.274g/mol
Monoisotopic Mass:
191.131g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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