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78784-38-0 | ethyl 5-(pyridin-3-yl)pentanoate
CAS No: 78784-38-0 Catalog No: AG01DJGB MDL No:MFCD27928844
Product Description
Catalog Number:
AG01DJGB
Chemical Name:
ethyl 5-(pyridin-3-yl)pentanoate
CAS Number:
78784-38-0
Molecular Formula:
C12H17NO2
Molecular Weight:
207.2689
MDL Number:
MFCD27928844
IUPAC Name:
ethyl 5-pyridin-3-ylpentanoate
InChI:
InChI=1S/C12H17NO2/c1-2-15-12(14)8-4-3-6-11-7-5-9-13-10-11/h5,7,9-10H,2-4,6,8H2,1H3
InChI Key:
GSZCCOFBHJPXPT-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCCc1cccnc1
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.126g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.273g/mol
Monoisotopic Mass:
207.126g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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