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16024-31-0

16024-31-0 | Benzene, 1,5-dimethoxy-2-methyl-3-nitro-

CAS No: 16024-31-0 Catalog No: AG001RSW MDL No:

Product Description

Catalog Number:
AG001RSW
Chemical Name:
Benzene, 1,5-dimethoxy-2-methyl-3-nitro-
CAS Number:
16024-31-0
Molecular Formula:
C9H11NO4
Molecular Weight:
197.1879
IUPAC Name:
1,5-dimethoxy-2-methyl-3-nitrobenzene
InChI:
InChI=1S/C9H11NO4/c1-6-8(10(11)12)4-7(13-2)5-9(6)14-3/h4-5H,1-3H3
InChI Key:
GNWAEXWMLARGIG-UHFFFAOYSA-N
SMILES:
COc1cc(OC)c(c(c1)[N+](=O)[O-])C

Properties

Complexity:
204  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.069g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.19g/mol
Monoisotopic Mass:
197.069g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  

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