Methyl 5-[(4-isopropylphenoxy)methyl]-2-furoate - CAS 402719-22-6
Catalog: |
BB044813 |
Product Name: |
Methyl 5-[(4-isopropylphenoxy)methyl]-2-furoate |
CAS: |
402719-22-6 |
Synonyms: |
Methyl 5-((4-isopropylphenoxy)methyl)furan-2-carboxylate; 5-(4-Isopropyl-phenoxymethyl)-furan-2-carboxylic acid methyl ester; methyl 5-{[4-(propan-2-yl)phenoxy]methyl}furan-2-carboxylate; methyl 5-{[4-(methylethyl)phenoxy]methyl}furan-2-carboxylate |
IUPAC Name: | methyl 5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxylate |
Description: | Methyl 5-[(4-isopropylphenoxy)methyl]-2-furoate (CAS# 402719-22-6 ) is a useful research chemical. |
Molecular Weight: | 274.31 |
Molecular Formula: | C16H18O4 |
Canonical SMILES: | CC(C)C1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)OC |
InChI: | InChI=1S/C16H18O4/c1-11(2)12-4-6-13(7-5-12)19-10-14-8-9-15(20-14)16(17)18-3/h4-9,11H,10H2,1-3H3 |
InChI Key: | LKHFCXQFUNMHMM-UHFFFAOYSA-N |
Boiling Point: | 388.9±42.0 ℃ at 760 mmHg |
Purity: | ≥ 95 % |
Density: | 1.1±0.1 g/cm3 |
Complexity: | 308 |
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: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 274.12050905 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 48.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
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