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79038-97-4 | 3-(2-(4-(5-(METHOXYMETHYL)-2-OXO-3-OXAZOLIDINYL)PHENOXY)ETHYL)BENZONITRILE
CAS No: 79038-97-4 Catalog No: AG0054GX MDL No:
Product Description
Catalog Number:
AG0054GX
Chemical Name:
3-(2-(4-(5-(METHOXYMETHYL)-2-OXO-3-OXAZOLIDINYL)PHENOXY)ETHYL)BENZONITRILE
CAS Number:
79038-97-4
Molecular Formula:
C20H20N2O4
Molecular Weight:
352.3838
IUPAC Name:
3-[2-[4-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy]ethyl]benzonitrile
InChI:
InChI=1S/C20H20N2O4/c1-24-14-19-13-22(20(23)26-19)17-5-7-18(8-6-17)25-10-9-15-3-2-4-16(11-15)12-21/h2-8,11,19H,9-10,13-14H2,1H3
InChI Key:
XPIZFMWARFTBJF-UHFFFAOYSA-N
SMILES:
COCC1OC(=O)N(C1)c1ccc(cc1)OCCc1cccc(c1)C#N
Properties
Complexity:
509
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.142g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
352.39g/mol
Monoisotopic Mass:
352.142g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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