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73422-65-8 | Propanenitrile,3-[4-[5-(hydroxymethyl)-2-oxo-3-oxazolidinyl]phenoxy]-
CAS No: 73422-65-8 Catalog No: AG005E3U MDL No:
Product Description
Catalog Number:
AG005E3U
Chemical Name:
Propanenitrile,3-[4-[5-(hydroxymethyl)-2-oxo-3-oxazolidinyl]phenoxy]-
CAS Number:
73422-65-8
Molecular Formula:
C13H14N2O4
Molecular Weight:
262.2613
IUPAC Name:
3-[4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy]propanenitrile
InChI:
InChI=1S/C13H14N2O4/c14-6-1-7-18-11-4-2-10(3-5-11)15-8-12(9-16)19-13(15)17/h2-5,12,16H,1,7-9H2
InChI Key:
VMMLORIHQJEELS-UHFFFAOYSA-N
SMILES:
N#CCCOc1ccc(cc1)N1CC(OC1=O)CO
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.095g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.265g/mol
Monoisotopic Mass:
262.095g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
82.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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