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144602-62-0 | Pentanoic acid, 5-(4-cyanophenoxy)-, ethyl ester
CAS No: 144602-62-0 Catalog No: AG001JU9 MDL No:
Product Description
Catalog Number:
AG001JU9
Chemical Name:
Pentanoic acid, 5-(4-cyanophenoxy)-, ethyl ester
CAS Number:
144602-62-0
Molecular Formula:
C14H17NO3
Molecular Weight:
247.2897
IUPAC Name:
ethyl 5-(4-cyanophenoxy)pentanoate
InChI:
InChI=1S/C14H17NO3/c1-2-17-14(16)5-3-4-10-18-13-8-6-12(11-15)7-9-13/h6-9H,2-5,10H2,1H3
InChI Key:
QRHLHRBGEOFSQW-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCCOc1ccc(cc1)C#N
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.121g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.294g/mol
Monoisotopic Mass:
247.121g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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