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89520-98-9 | Carbamic acid, [2-[4-(2-pyridinyloxy)phenoxy]ethyl]-, hexyl ester
CAS No: 89520-98-9 Catalog No: AG003ZUS MDL No:
Product Description
Catalog Number:
AG003ZUS
Chemical Name:
Carbamic acid, [2-[4-(2-pyridinyloxy)phenoxy]ethyl]-, hexyl ester
CAS Number:
89520-98-9
Molecular Formula:
C20H26N2O4
Molecular Weight:
358.4314
IUPAC Name:
hexyl N-[2-(4-pyridin-2-yloxyphenoxy)ethyl]carbamate
InChI:
InChI=1S/C20H26N2O4/c1-2-3-4-7-15-25-20(23)22-14-16-24-17-9-11-18(12-10-17)26-19-8-5-6-13-21-19/h5-6,8-13H,2-4,7,14-16H2,1H3,(H,22,23)
InChI Key:
UVMDTYYWRLQTKU-UHFFFAOYSA-N
SMILES:
CCCCCCOC(=O)NCCOc1ccc(cc1)Oc1ccccn1
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.189g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
358.438g/mol
Monoisotopic Mass:
358.189g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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