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Home > Nitro Compounds > 93376-43-3

93376-43-3

93376-43-3 | 1(3H)-Isobenzofuranone, 3,3-bis(4-hydroxy-3-methylphenyl)-7-nitro-

CAS No: 93376-43-3 Catalog No: AG006G7B MDL No:

Product Description

Catalog Number:
AG006G7B
Chemical Name:
1(3H)-Isobenzofuranone, 3,3-bis(4-hydroxy-3-methylphenyl)-7-nitro-
CAS Number:
93376-43-3
Molecular Formula:
C22H17NO6
Molecular Weight:
391.3735
IUPAC Name:
3,3-bis(4-hydroxy-3-methylphenyl)-7-nitro-2-benzofuran-1-one
InChI:
InChI=1S/C22H17NO6/c1-12-10-14(6-8-18(12)24)22(15-7-9-19(25)13(2)11-15)16-4-3-5-17(23(27)28)20(16)21(26)29-22/h3-11,24-25H,1-2H3
InChI Key:
IEIWZTIOGPTRAK-UHFFFAOYSA-N
SMILES:
Cc1cc(ccc1O)C1(OC(=O)c2c1cccc2[N+](=O)[O-])c1ccc(c(c1)C)O

Properties

Complexity:
622  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
391.106g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
391.379g/mol
Monoisotopic Mass:
391.106g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4  

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