5-(2-Isopropyl-5-methyl-phenoxymethyl)-furan-2-carboxylic acid - CAS 364746-27-0
Catalog: |
BB042599 |
Product Name: |
5-(2-Isopropyl-5-methyl-phenoxymethyl)-furan-2-carboxylic acid |
CAS: |
364746-27-0 |
Synonyms: |
5-((2-Isopropyl-5-methylphenoxy)methyl)furan-2-carboxylic acid; 5-{[5-methyl-2-(methylethyl)phenoxy]methyl}furan-2-carboxylic acid |
IUPAC Name: | 5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxylic acid |
Description: | 5-(2-Isopropyl-5-methyl-phenoxymethyl)-furan-2-carboxylic acid (CAS# 364746-27-0 ) is a useful research chemical. |
Molecular Weight: | 274.31 |
Molecular Formula: | C16H18O4 |
Canonical SMILES: | CC1=CC(=C(C=C1)C(C)C)OCC2=CC=C(O2)C(=O)O |
InChI: | InChI=1S/C16H18O4/c1-10(2)13-6-4-11(3)8-15(13)19-9-12-5-7-14(20-12)16(17)18/h4-8,10H,9H2,1-3H3,(H,17,18) |
InChI Key: | FQHIFXZRIGVLRX-UHFFFAOYSA-N |
Complexity: | 328 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 274.12050905 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 274.12050905 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 59.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
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