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89520-85-4 | Carbamic acid, [2-[4-(2-pyridinyloxy)phenoxy]ethyl]-, ethyl ester
CAS No: 89520-85-4 Catalog No: AG0040VC MDL No:
Product Description
Catalog Number:
AG0040VC
Chemical Name:
Carbamic acid, [2-[4-(2-pyridinyloxy)phenoxy]ethyl]-, ethyl ester
CAS Number:
89520-85-4
Molecular Formula:
C16H18N2O4
Molecular Weight:
302.3251
IUPAC Name:
ethyl N-[2-(4-pyridin-2-yloxyphenoxy)ethyl]carbamate
InChI:
InChI=1S/C16H18N2O4/c1-2-20-16(19)18-11-12-21-13-6-8-14(9-7-13)22-15-5-3-4-10-17-15/h3-10H,2,11-12H2,1H3,(H,18,19)
InChI Key:
IXOFPXGNWHNEQU-UHFFFAOYSA-N
SMILES:
CCOC(=O)NCCOc1ccc(cc1)Oc1ccccn1
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.127g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
302.33g/mol
Monoisotopic Mass:
302.127g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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