Home Nitros methyl 2,4,6-trimethyl-3-nitrobenzoate

methyl 2,4,6-trimethyl-3-nitrobenzoate

CAS No.:
250650-97-6
Catalog Number:
AG01A43W
Molecular Formula:
C11H13NO4
Molecular Weight:
223.2252
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Product Description
Catalog Number:
AG01A43W
Chemical Name:
methyl 2,4,6-trimethyl-3-nitrobenzoate
CAS Number:
250650-97-6
Molecular Formula:
C11H13NO4
Molecular Weight:
223.2252
MDL Number:
MFCD12172977
IUPAC Name:
methyl 2,4,6-trimethyl-3-nitrobenzoate
InChI:
InChI=1S/C11H13NO4/c1-6-5-7(2)10(12(14)15)8(3)9(6)11(13)16-4/h5H,1-4H3
InChI Key:
QZDCQHUTGCJJJT-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(C)cc(c(c1C)[N+](=O)[O-])C
Properties
Complexity:
286  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.084g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.228g/mol
Monoisotopic Mass:
223.084g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties