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Home > Nitro Compounds > 25158-68-3
25158-68-3 | 5-nitro-2,3-dihydro-1-benzofuran-3-one
CAS No: 25158-68-3 Catalog No: AG019RZE MDL No:MFCD10696198
Product Description
Catalog Number:
AG019RZE
Chemical Name:
5-nitro-2,3-dihydro-1-benzofuran-3-one
CAS Number:
25158-68-3
Molecular Formula:
C8H5NO4
Molecular Weight:
179.1296
MDL Number:
MFCD10696198
IUPAC Name:
5-nitro-1-benzofuran-3-one
InChI:
InChI=1S/C8H5NO4/c10-7-4-13-8-2-1-5(9(11)12)3-6(7)8/h1-3H,4H2
InChI Key:
ROBFLDVWFBLZKV-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)C(=O)CO2
NSC Number:
206602
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.022g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.131g/mol
Monoisotopic Mass:
179.022g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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