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Home > Nitro Compounds > 79844-33-0
79844-33-0 | 1-(2,2-Dimethoxyethyl)-2-nitrobenzene
CAS No: 79844-33-0 Catalog No: AG00G3YD MDL No:MFCD16890134
Product Description
Catalog Number:
AG00G3YD
Chemical Name:
1-(2,2-Dimethoxyethyl)-2-nitrobenzene
CAS Number:
79844-33-0
Molecular Formula:
C10H13NO4
Molecular Weight:
211.2145
MDL Number:
MFCD16890134
IUPAC Name:
1-(2,2-dimethoxyethyl)-2-nitrobenzene
InChI:
InChI=1S/C10H13NO4/c1-14-10(15-2)7-8-5-3-4-6-9(8)11(12)13/h3-6,10H,7H2,1-2H3
InChI Key:
SFJXRPYEEMNGOJ-UHFFFAOYSA-N
SMILES:
COC(Cc1ccccc1[N+](=O)[O-])OC
EC Number:
616-746-0
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.084g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.217g/mol
Monoisotopic Mass:
211.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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