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Home > Nitro Compounds > 89206-73-5
89206-73-5 | 1(3H)-Isobenzofuranone, 3-hydroxy-3-(4-methyl-3-nitrophenyl)-
CAS No: 89206-73-5 Catalog No: AG00464O MDL No:
Product Description
Catalog Number:
AG00464O
Chemical Name:
1(3H)-Isobenzofuranone, 3-hydroxy-3-(4-methyl-3-nitrophenyl)-
CAS Number:
89206-73-5
Molecular Formula:
C15H11NO5
Molecular Weight:
285.2515
IUPAC Name:
3-hydroxy-3-(4-methyl-3-nitrophenyl)-2-benzofuran-1-one
InChI:
InChI=1S/C15H11NO5/c1-9-6-7-10(8-13(9)16(19)20)15(18)12-5-3-2-4-11(12)14(17)21-15/h2-8,18H,1H3
InChI Key:
OKOXHMZCTJNIGV-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1C)C1(O)OC(=O)c2c1cccc2
Properties
Complexity:
448
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.064g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
285.255g/mol
Monoisotopic Mass:
285.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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