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Home > Nitro Compounds > 860408-69-1
860408-69-1 | 1-(4-Ethoxy-3-nitrophenyl)-1-propanone
CAS No: 860408-69-1 Catalog No: AG00JB44 MDL No:MFCD11983427
Product Description
Catalog Number:
AG00JB44
Chemical Name:
1-(4-Ethoxy-3-nitrophenyl)-1-propanone
CAS Number:
860408-69-1
Molecular Formula:
C11H13NO4
Molecular Weight:
223.2252
MDL Number:
MFCD11983427
IUPAC Name:
1-(4-ethoxy-3-nitrophenyl)propan-1-one
InChI:
InChI=1S/C11H13NO4/c1-3-10(13)8-5-6-11(16-4-2)9(7-8)12(14)15/h5-7H,3-4H2,1-2H3
InChI Key:
XMRSDGKHRSKJBT-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1[N+](=O)[O-])C(=O)CC
Properties
Complexity:
261
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:
4
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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