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21181-99-7 | 3-(Pyridin-4-yl)propyl benzoate
CAS No: 21181-99-7 Catalog No: AG01FEY6 MDL No:MFCD06637479
Product Description
Catalog Number:
AG01FEY6
Chemical Name:
3-(Pyridin-4-yl)propyl benzoate
CAS Number:
21181-99-7
Molecular Formula:
C15H15NO2
Molecular Weight:
241.2851
MDL Number:
MFCD06637479
IUPAC Name:
3-pyridin-4-ylpropyl benzoate
InChI:
InChI=1S/C15H15NO2/c17-15(14-6-2-1-3-7-14)18-12-4-5-13-8-10-16-11-9-13/h1-3,6-11H,4-5,12H2
InChI Key:
JUMBDZRIANTTBI-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)OCCCc1ccncc1
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.11g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.29g/mol
Monoisotopic Mass:
241.11g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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