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Home > Nitro Compounds > 682357-24-0
682357-24-0 | 3-Hexyn-2-ol, 2,5-dimethyl-5-(4-nitrophenoxy)-
CAS No: 682357-24-0 Catalog No: AG005LOD MDL No:
Product Description
Catalog Number:
AG005LOD
Chemical Name:
3-Hexyn-2-ol, 2,5-dimethyl-5-(4-nitrophenoxy)-
CAS Number:
682357-24-0
Molecular Formula:
C14H17NO4
Molecular Weight:
263.2891
IUPAC Name:
2,5-dimethyl-5-(4-nitrophenoxy)hex-3-yn-2-ol
InChI:
InChI=1S/C14H17NO4/c1-13(2,16)9-10-14(3,4)19-12-7-5-11(6-8-12)15(17)18/h5-8,16H,1-4H3
InChI Key:
MUICBIBKGIJBCU-UHFFFAOYSA-N
SMILES:
CC(Oc1ccc(cc1)[N+](=O)[O-])(C#CC(O)(C)C)C
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.116g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.293g/mol
Monoisotopic Mass:
263.116g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
75.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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