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Home > Nitro Compounds > 832713-74-3
832713-74-3 | 3(2H)-Benzofuranone, 6-hydroxy-5-nitro-
CAS No: 832713-74-3 Catalog No: AG004TUB MDL No:
Product Description
Catalog Number:
AG004TUB
Chemical Name:
3(2H)-Benzofuranone, 6-hydroxy-5-nitro-
CAS Number:
832713-74-3
Molecular Formula:
C8H5NO5
Molecular Weight:
195.1290
IUPAC Name:
6-hydroxy-5-nitro-1-benzofuran-3-one
InChI:
InChI=1S/C8H5NO5/c10-6-2-8-4(7(11)3-14-8)1-5(6)9(12)13/h1-2,10H,3H2
InChI Key:
KYWSAPYOWOKFMK-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc2C(=O)COc2cc1O
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.017g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
195.13g/mol
Monoisotopic Mass:
195.017g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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