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Home > Nitro Compounds > 861225-55-0
861225-55-0 | 5-[(3-nitrophenoxy)methyl]-2-furoic acid
CAS No: 861225-55-0 Catalog No: AG00JET9 MDL No:MFCD05861697
Product Description
Catalog Number:
AG00JET9
Chemical Name:
5-[(3-nitrophenoxy)methyl]-2-furoic acid
CAS Number:
861225-55-0
Molecular Formula:
C12H9NO6
Molecular Weight:
263.2030
MDL Number:
MFCD05861697
IUPAC Name:
5-[(3-nitrophenoxy)methyl]furan-2-carboxylic acid
InChI:
InChI=1S/C12H9NO6/c14-12(15)11-5-4-10(19-11)7-18-9-3-1-2-8(6-9)13(16)17/h1-6H,7H2,(H,14,15)
InChI Key:
MEJNDGBFARCNLK-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(o1)COc1cccc(c1)[N+](=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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