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79039-03-5 | Benzonitrile,3-[[4-[5-(methoxymethyl)-2-oxo-3-oxazolidinyl]phenyl]methoxy]-
CAS No: 79039-03-5 Catalog No: AG005CD4 MDL No:
Product Description
Catalog Number:
AG005CD4
Chemical Name:
Benzonitrile,3-[[4-[5-(methoxymethyl)-2-oxo-3-oxazolidinyl]phenyl]methoxy]-
CAS Number:
79039-03-5
Molecular Formula:
C19H18N2O4
Molecular Weight:
338.3572
IUPAC Name:
3-[[4-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]methoxy]benzonitrile
InChI:
InChI=1S/C19H18N2O4/c1-23-13-18-11-21(19(22)25-18)16-7-5-14(6-8-16)12-24-17-4-2-3-15(9-17)10-20/h2-9,18H,11-13H2,1H3
InChI Key:
JMWAMXPSDUCNRQ-UHFFFAOYSA-N
SMILES:
COCC1OC(=O)N(C1)c1ccc(cc1)COc1cccc(c1)C#N
Properties
Complexity:
495
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.127g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
338.363g/mol
Monoisotopic Mass:
338.127g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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