Methyl 3-Methyl-2-furancarboxylate - CAS 6141-57-7
Catalog: |
BB031094 |
Product Name: |
Methyl 3-Methyl-2-furancarboxylate |
CAS: |
6141-57-7 |
Synonyms: |
3-methyl-2-furancarboxylic acid methyl ester; methyl 3-methylfuran-2-carboxylate |
IUPAC Name: | methyl 3-methylfuran-2-carboxylate |
Description: | Methyl 3-Methyl-2-furancarboxylate (CAS# 6141-57-7) is a volatile substance in the unfermented apple pomace. |
Molecular Weight: | 140.14 |
Molecular Formula: | C7H8O3 |
Canonical SMILES: | CC1=C(OC=C1)C(=O)OC |
InChI: | InChI=1S/C7H8O3/c1-5-3-4-10-6(5)7(8)9-2/h3-4H,1-2H3 |
InChI Key: | AQQYRDKMXXSIMP-UHFFFAOYSA-N |
Boiling Point: | 60 °C (1 torr) |
MDL: | MFCD00014110 |
LogP: | 1.37460 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2021023044-A1 | Cannabis based therapeutic and method of use | 20180223 |
EP-3738956-A1 | Cxcr2 antagonist | 20180111 |
US-2020339549-A1 | Cxcr2 antagonist | 20180111 |
JP-2018103164-A | Water treatment system | 20161228 |
JP-6819284-B2 | Water treatment system | 20161228 |
Complexity: | 133 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 140.047344113 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 140.047344113 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 39.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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