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92799-03-6 | 2-Furancarboxaldehyde, 5-nitro-, diacetate
CAS No: 92799-03-6 Catalog No: AG0060SZ MDL No:
Product Description
Catalog Number:
AG0060SZ
Chemical Name:
2-Furancarboxaldehyde, 5-nitro-, diacetate
CAS Number:
92799-03-6
Molecular Formula:
C9H11NO8
Molecular Weight:
261.1855
IUPAC Name:
acetic acid;5-nitrofuran-2-carbaldehyde
InChI:
InChI=1S/C5H3NO4.2C2H4O2/c7-3-4-1-2-5(10-4)6(8)9;2*1-2(3)4/h1-3H;2*1H3,(H,3,4)
InChI Key:
LPYIXHHGKPBPCF-UHFFFAOYSA-N
SMILES:
CC(=O)O.CC(=O)O.O=Cc1ccc(o1)[N+](=O)[O-]
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.048g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
261.186g/mol
Monoisotopic Mass:
261.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
151A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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