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Home > Nitro Compounds > 114157-72-1
114157-72-1 | Cyclohexanol, 2-(5-methyl-2-nitrophenoxy)-, trans- (9CI)
CAS No: 114157-72-1 Catalog No: AG000AP5 MDL No:
Product Description
Catalog Number:
AG000AP5
Chemical Name:
Cyclohexanol, 2-(5-methyl-2-nitrophenoxy)-, trans- (9CI)
CAS Number:
114157-72-1
Molecular Formula:
C13H17NO4
Molecular Weight:
251.2784
IUPAC Name:
2-(5-methyl-2-nitrophenoxy)cyclohexan-1-ol
InChI:
InChI=1S/C13H17NO4/c1-9-6-7-10(14(16)17)13(8-9)18-12-5-3-2-4-11(12)15/h6-8,11-12,15H,2-5H2,1H3
InChI Key:
WEBVNVUOVWODPZ-UHFFFAOYSA-N
SMILES:
O[C@@H]1CCCC[C@H]1Oc1cc(C)ccc1[N+](=O)[O-]
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.116g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.282g/mol
Monoisotopic Mass:
251.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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