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Home > Nitro Compounds > 886493-49-8
886493-49-8 | (4,5-Dimethoxy-2-nitro-phenyl)-p-tolyl-methanol
CAS No: 886493-49-8 Catalog No: AG01EY8C MDL No:
Product Description
Catalog Number:
AG01EY8C
Chemical Name:
(4,5-Dimethoxy-2-nitro-phenyl)-p-tolyl-methanol
CAS Number:
886493-49-8
Molecular Formula:
C16H17NO5
Molecular Weight:
303.3099
IUPAC Name:
(4,5-dimethoxy-2-nitrophenyl)-(4-methylphenyl)methanol
InChI:
InChI=1S/C16H17NO5/c1-10-4-6-11(7-5-10)16(18)12-8-14(21-2)15(22-3)9-13(12)17(19)20/h4-9,16,18H,1-3H3
InChI Key:
INLCGVOQXMWQDM-UHFFFAOYSA-N
SMILES:
COc1cc(C(c2ccc(cc2)C)O)c(cc1OC)[N+](=O)[O-]
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.111g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
303.314g/mol
Monoisotopic Mass:
303.111g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
84.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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