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Home > Nitro Compounds > 89261-29-0
89261-29-0 | Benzene, 1,3-dimethoxy-5-(6-nitro-3-cyclohexen-1-yl)-
CAS No: 89261-29-0 Catalog No: AG0041H1 MDL No:
Product Description
Catalog Number:
AG0041H1
Chemical Name:
Benzene, 1,3-dimethoxy-5-(6-nitro-3-cyclohexen-1-yl)-
CAS Number:
89261-29-0
Molecular Formula:
C14H17NO4
Molecular Weight:
263.2891
IUPAC Name:
1,3-dimethoxy-5-(6-nitrocyclohex-3-en-1-yl)benzene
InChI:
InChI=1S/C14H17NO4/c1-18-11-7-10(8-12(9-11)19-2)13-5-3-4-6-14(13)15(16)17/h3-4,7-9,13-14H,5-6H2,1-2H3
InChI Key:
BGTRLCXKULKJCB-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1)OC)C1CC=CCC1[N+](=O)[O-]
Properties
Complexity:
327
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:
0
Isotope Atom Count:
0
Molecular Weight:
263.293g/mol
Monoisotopic Mass:
263.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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