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88796-67-2

88796-67-2 | Benzoic acid, 2-[(5-nitro-2-furanyl)methoxy]-

CAS No: 88796-67-2 Catalog No: AG004B0I MDL No:

Product Description

Catalog Number:
AG004B0I
Chemical Name:
Benzoic acid, 2-[(5-nitro-2-furanyl)methoxy]-
CAS Number:
88796-67-2
Molecular Formula:
C12H9NO6
Molecular Weight:
263.2030
IUPAC Name:
2-[(5-nitrofuran-2-yl)methoxy]benzoic acid
InChI:
InChI=1S/C12H9NO6/c14-12(15)9-3-1-2-4-10(9)18-7-8-5-6-11(19-8)13(16)17/h1-6H,7H2,(H,14,15)
InChI Key:
JUACOJACYSRHLH-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(o1)COc1ccccc1C(=O)O

Properties

Complexity:
342  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.043g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
263.205g/mol
Monoisotopic Mass:
263.043g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

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