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Home > Nitro Compounds > 1197420-16-8
1197420-16-8 | 1-cyclopropyl-2-(2-methoxy-4-nitrophenoxy)ethan-1-one
CAS No: 1197420-16-8 Catalog No: AG015CXY MDL No:MFCD19545857
Product Description
Catalog Number:
AG015CXY
Chemical Name:
1-cyclopropyl-2-(2-methoxy-4-nitrophenoxy)ethan-1-one
CAS Number:
1197420-16-8
Molecular Formula:
C12H13NO5
Molecular Weight:
251.2353
MDL Number:
MFCD19545857
IUPAC Name:
1-cyclopropyl-2-(2-methoxy-4-nitrophenoxy)ethanone
InChI:
InChI=1S/C12H13NO5/c1-17-12-6-9(13(15)16)4-5-11(12)18-7-10(14)8-2-3-8/h4-6,8H,2-3,7H2,1H3
InChI Key:
DFVWSTTZGNNAGP-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OCC(=O)C1CC1)[N+](=O)[O-]
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.079g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.238g/mol
Monoisotopic Mass:
251.079g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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