Home Carboxys 5-nitro-2,3-dihydro-1-benzofuran-3-carboxylic acid

5-nitro-2,3-dihydro-1-benzofuran-3-carboxylic acid

CAS No.:
1343497-45-9
Catalog Number:
AG01ABY3
Molecular Formula:
C9H7NO5
Molecular Weight:
209.1556
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Product Description
Catalog Number:
AG01ABY3
Chemical Name:
5-nitro-2,3-dihydro-1-benzofuran-3-carboxylic acid
CAS Number:
1343497-45-9
Molecular Formula:
C9H7NO5
Molecular Weight:
209.1556
MDL Number:
MFCD19657226
IUPAC Name:
5-nitro-2,3-dihydro-1-benzofuran-3-carboxylic acid
InChI:
InChI=1S/C9H7NO5/c11-9(12)7-4-15-8-2-1-5(10(13)14)3-6(7)8/h1-3,7H,4H2,(H,11,12)
InChI Key:
SSOXGAJFKZQCAD-UHFFFAOYSA-N
SMILES:
OC(=O)C1COc2c1cc(cc2)[N+](=O)[O-]
Properties
Complexity:
287  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.032g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
209.157g/mol
Monoisotopic Mass:
209.032g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties