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86405-72-3 | 4-(5-(Methoxymethyl)-2-oxo-3-oxazolidinyl)benzenehexanenitrile
CAS No: 86405-72-3 Catalog No: AG004R6Y MDL No:
Product Description
Catalog Number:
AG004R6Y
Chemical Name:
4-(5-(Methoxymethyl)-2-oxo-3-oxazolidinyl)benzenehexanenitrile
CAS Number:
86405-72-3
Molecular Formula:
C17H22N2O3
Molecular Weight:
302.3682
IUPAC Name:
6-[4-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]hexanenitrile
InChI:
InChI=1S/C17H22N2O3/c1-21-13-16-12-19(17(20)22-16)15-9-7-14(8-10-15)6-4-2-3-5-11-18/h7-10,16H,2-6,12-13H2,1H3
InChI Key:
OJOJVAJFWANXFO-UHFFFAOYSA-N
SMILES:
COCC1OC(=O)N(C1)c1ccc(cc1)CCCCCC#N
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.163g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.374g/mol
Monoisotopic Mass:
302.163g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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