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Home > Nitro Compounds > 866041-20-5
866041-20-5 | 3-(2-methoxy-5-nitrophenoxy)butan-2-one
CAS No: 866041-20-5 Catalog No: AG00IUI1 MDL No:MFCD05256133
Product Description
Catalog Number:
AG00IUI1
Chemical Name:
3-(2-methoxy-5-nitrophenoxy)butan-2-one
CAS Number:
866041-20-5
Molecular Formula:
C11H13NO5
Molecular Weight:
239.2246
MDL Number:
MFCD05256133
IUPAC Name:
3-(2-methoxy-5-nitrophenoxy)butan-2-one
InChI:
InChI=1S/C11H13NO5/c1-7(13)8(2)17-11-6-9(12(14)15)4-5-10(11)16-3/h4-6,8H,1-3H3
InChI Key:
ZNXPKGIFLZPGAH-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1OC(C(=O)C)C)[N+](=O)[O-]
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.079g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.227g/mol
Monoisotopic Mass:
239.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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