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Home > Nitro Compounds > 57672-32-9
57672-32-9 | 1-(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)ethan-1-one
CAS No: 57672-32-9 Catalog No: AG01B91Q MDL No:MFCD00561823
Product Description
Catalog Number:
AG01B91Q
Chemical Name:
1-(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)ethan-1-one
CAS Number:
57672-32-9
Molecular Formula:
C10H9NO5
Molecular Weight:
223.1822
MDL Number:
MFCD00561823
IUPAC Name:
1-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)ethanone
InChI:
InChI=1S/C10H9NO5/c1-6(12)7-4-9-10(16-3-2-15-9)5-8(7)11(13)14/h4-5H,2-3H2,1H3
InChI Key:
ZPHONNSYOVXZDJ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc2OCCOc2cc1C(=O)C
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.048g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.184g/mol
Monoisotopic Mass:
223.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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