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Home > Nitro Compounds > 832737-73-2
832737-73-2 | 5-[(3-methyl-4-nitrophenoxy)methyl]-2-furoic acid
CAS No: 832737-73-2 Catalog No: AG00JEAN MDL No:MFCD03421888
Product Description
Catalog Number:
AG00JEAN
Chemical Name:
5-[(3-methyl-4-nitrophenoxy)methyl]-2-furoic acid
CAS Number:
832737-73-2
Molecular Formula:
C13H11NO6
Molecular Weight:
277.2295
MDL Number:
MFCD03421888
IUPAC Name:
5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carboxylic acid
InChI:
InChI=1S/C13H11NO6/c1-8-6-9(2-4-11(8)14(17)18)19-7-10-3-5-12(20-10)13(15)16/h2-6H,7H2,1H3,(H,15,16)
InChI Key:
CEVRYRJNYZJMKC-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1C)OCc1ccc(o1)C(=O)O
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.059g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
277.232g/mol
Monoisotopic Mass:
277.059g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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