5-[(4-Sec-butylphenoxy)methyl]-2-furoic acid - CAS 402745-78-2
Catalog: |
BB042598 |
Product Name: |
5-[(4-Sec-butylphenoxy)methyl]-2-furoic acid |
CAS: |
402745-78-2 |
Synonyms: |
5-(4-(2-Butyl)phenoxymethyl)furan-2-carboxylicacid |
IUPAC Name: | 5-[(4-butan-2-ylphenoxy)methyl]furan-2-carboxylic acid |
Description: | 5-[(4-Sec-butylphenoxy)methyl]-2-furoic acid (CAS# 402745-78-2 ) is a useful research chemical. |
Molecular Weight: | 274.31 |
Molecular Formula: | C16H18O4 |
Canonical SMILES: | CCC(C)C1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)O |
InChI: | InChI=1S/C16H18O4/c1-3-11(2)12-4-6-13(7-5-12)19-10-14-8-9-15(20-14)16(17)18/h4-9,11H,3,10H2,1-2H3,(H,17,18) |
InChI Key: | FAKSOKPXLBLQNV-UHFFFAOYSA-N |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 310 |
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: | 6 |
Topological Polar Surface Area: | 59.7 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4 |
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