5-Methyl-2-furoic Acid - CAS 1917-15-3
Catalog: |
BB014833 |
Product Name: |
5-Methyl-2-furoic Acid |
CAS: |
1917-15-3 |
Synonyms: |
5-methyl-2-furancarboxylic acid; 5-methylfuran-2-carboxylic acid |
IUPAC Name: | 5-methylfuran-2-carboxylic acid |
Description: | 5-Methyl-2-furoic Acid (CAS# 1917-15-3) is a useful research chemical. |
Molecular Weight: | 126.11 |
Molecular Formula: | C6H6O3 |
Canonical SMILES: | CC1=CC=C(O1)C(=O)O |
InChI: | InChI=1S/C6H6O3/c1-4-2-3-5(9-4)6(7)8/h2-3H,1H3,(H,7,8) |
InChI Key: | OVOCLWJUABOAPL-UHFFFAOYSA-N |
Boiling Point: | 236.9 °C at 760 mmHg |
Density: | 1.248 g/cm3 |
LogP: | 1.28620 |
GHS Hazard Statement: | H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P264, P280, P305+P351+P338, and P337+P313 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113336932-A | Metal coordination catalyst for synthesizing carbon dioxide-based biodegradable material and application thereof | 20210716 |
CN-112679482-A | Itraconazole-based Smo inhibitor and preparation method and application thereof | 20201229 |
WO-2021123203-A1 | Organic acid and thermal treatment of purified 2,5-furandicarboxylic acid | 20191220 |
WO-2021123206-A1 | Water and thermal treatment of purified 2,5-furandicarboxylic acid | 20191220 |
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PMID | Publication Date | Title | Journal |
31539079 | 20190904 | Association of Untargeted Urinary Metabolomics and Lung Cancer Risk Among Never-Smoking Women in China | JAMA network open |
12478581 | 20020101 | Gas chromatography/mass spectrometric characterisation of pyrolysis/silylation products of glucose and cellulose | Rapid communications in mass spectrometry : RCM |
Complexity: | 122 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 126.031694049 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 126.031694049 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 50.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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