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Home > Nitro Compounds > 438219-25-1
438219-25-1 | 5-[(4-nitrophenoxy)methyl]-2-furoic acid
CAS No: 438219-25-1 Catalog No: AG00I8CQ MDL No:MFCD03419333
Product Description
Catalog Number:
AG00I8CQ
Chemical Name:
5-[(4-nitrophenoxy)methyl]-2-furoic acid
CAS Number:
438219-25-1
Molecular Formula:
C12H9NO6
Molecular Weight:
263.2030
MDL Number:
MFCD03419333
IUPAC Name:
5-[(4-nitrophenoxy)methyl]furan-2-carboxylic acid
InChI:
InChI=1S/C12H9NO6/c14-12(15)11-6-5-10(19-11)7-18-9-3-1-8(2-4-9)13(16)17/h1-6H,7H2,(H,14,15)
InChI Key:
QBTFAJGZQGYZTH-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)OCc1ccc(o1)C(=O)O
Properties
Complexity:
334
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
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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