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Home > Nitro Compounds > 1803593-15-8
1803593-15-8 | 1-(2,2-dimethoxyethyl)-4,5-dimethyl-2-nitrobenzene
CAS No: 1803593-15-8 Catalog No: AG01BA3M MDL No:MFCD28397495
Product Description
Catalog Number:
AG01BA3M
Chemical Name:
1-(2,2-dimethoxyethyl)-4,5-dimethyl-2-nitrobenzene
CAS Number:
1803593-15-8
Molecular Formula:
C12H17NO4
Molecular Weight:
239.2677
MDL Number:
MFCD28397495
IUPAC Name:
1-(2,2-dimethoxyethyl)-4,5-dimethyl-2-nitrobenzene
InChI:
InChI=1S/C12H17NO4/c1-8-5-10(7-12(16-3)17-4)11(13(14)15)6-9(8)2/h5-6,12H,7H2,1-4H3
InChI Key:
NTINPACVFBBNRY-UHFFFAOYSA-N
SMILES:
COC(Cc1cc(C)c(cc1[N+](=O)[O-])C)OC
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.116g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.271g/mol
Monoisotopic Mass:
239.116g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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