5-[(4-Methyl-2-nitrophenoxy)methyl]-2-furoic acid - CAS 438220-25-8
Catalog: |
BB045129 |
Product Name: |
5-[(4-Methyl-2-nitrophenoxy)methyl]-2-furoic acid |
CAS: |
438220-25-8 |
Synonyms: |
5-({2-nitro-4-methylphenoxy}methyl)-2-furoic acid; 5-[(4-methyl-2-nitro-phenoxy)methyl]furan-2-carboxylic acid |
IUPAC Name: | 5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxylic acid |
Description: | 5-[(4-Methyl-2-nitrophenoxy)methyl]-2-furoic acid (CAS# 438220-25-8 ) is a useful research chemical. |
Molecular Weight: | 277.23 |
Molecular Formula: | C13H11NO6 |
Canonical SMILES: | CC1=CC(=C(C=C1)OCC2=CC=C(O2)C(=O)O)[N+](=O)[O-] |
InChI: | InChI=1S/C13H11NO6/c1-8-2-4-11(10(6-8)14(17)18)19-7-9-3-5-12(20-9)13(15)16/h2-6H,7H2,1H3,(H,15,16) |
InChI Key: | BJTZIXCMABHKFK-UHFFFAOYSA-N |
Boiling Point: | 502.1±50.0 °C at 760 mmHg |
Density: | 1.4±0.1 g/cm3 |
Complexity: | 368 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 277.05863707 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 277.05863707 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 106 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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