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Home > Nitro Compounds > 89729-77-1
89729-77-1 | 1,5-Dioxaspiro[5.5]undecane, 3-(2-methyl-4-nitrophenyl)-
CAS No: 89729-77-1 Catalog No: AG0041ZK MDL No:
Product Description
Catalog Number:
AG0041ZK
Chemical Name:
1,5-Dioxaspiro[5.5]undecane, 3-(2-methyl-4-nitrophenyl)-
CAS Number:
89729-77-1
Molecular Formula:
C16H21NO4
Molecular Weight:
291.3422
IUPAC Name:
3-(2-methyl-4-nitrophenyl)-1,5-dioxaspiro[5.5]undecane
InChI:
InChI=1S/C16H21NO4/c1-12-9-14(17(18)19)5-6-15(12)13-10-20-16(21-11-13)7-3-2-4-8-16/h5-6,9,13H,2-4,7-8,10-11H2,1H3
InChI Key:
SJAMUIJYIGYHGZ-UHFFFAOYSA-N
SMILES:
Cc1cc(ccc1C1COC2(OC1)CCCCC2)[N+](=O)[O-]
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.147g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.347g/mol
Monoisotopic Mass:
291.147g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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