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23389-74-4 | 1-Hexanone, 1-(4-pyridinyl)-
CAS No: 23389-74-4 Catalog No: AG002N2A MDL No:MFCD01723222
Product Description
Catalog Number:
AG002N2A
Chemical Name:
1-Hexanone, 1-(4-pyridinyl)-
CAS Number:
23389-74-4
Molecular Formula:
C11H15NO
Molecular Weight:
177.2429
MDL Number:
MFCD01723222
IUPAC Name:
1-pyridin-4-ylhexan-1-one
InChI:
InChI=1S/C11H15NO/c1-2-3-4-5-11(13)10-6-8-12-9-7-10/h6-9H,2-5H2,1H3
InChI Key:
ZVVOWSXOIPVAOB-UHFFFAOYSA-N
SMILES:
CCCCCC(=O)c1ccncc1
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.115g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.247g/mol
Monoisotopic Mass:
177.115g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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