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89667-35-6 | Methanone, (3-pentylphenyl)-3-pyridinyl-
CAS No: 89667-35-6 Catalog No: AG0043I1 MDL No:
Product Description
Catalog Number:
AG0043I1
Chemical Name:
Methanone, (3-pentylphenyl)-3-pyridinyl-
CAS Number:
89667-35-6
Molecular Formula:
C17H19NO
Molecular Weight:
253.3389
IUPAC Name:
(3-pentylphenyl)-pyridin-3-ylmethanone
InChI:
InChI=1S/C17H19NO/c1-2-3-4-7-14-8-5-9-15(12-14)17(19)16-10-6-11-18-13-16/h5-6,8-13H,2-4,7H2,1H3
InChI Key:
ZJRPPPKVGPXUJM-UHFFFAOYSA-N
SMILES:
CCCCCc1cccc(c1)C(=O)c1cccnc1
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.147g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.345g/mol
Monoisotopic Mass:
253.147g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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