Ethyl 3,5-dihydroxybenzoate - CAS 4142-98-7
Catalog: |
BB024882 |
Product Name: |
Ethyl 3,5-dihydroxybenzoate |
CAS: |
4142-98-7 |
Synonyms: |
Benzoic acid, 3,5-dihydroxy-, ethyl ester; α-Resorcylic acid, ethyl ester; 3,5-Dihydroxybenzoic acid ethyl ester |
IUPAC Name: | ethyl 3,5-dihydroxybenzoate |
Molecular Weight: | 182.17 |
Molecular Formula: | C9H10O4 |
Canonical SMILES: | CCOC(=O)C1=CC(=CC(=C1)O)O |
InChI: | InChI=1S/C9H10O4/c1-2-13-9(12)6-3-7(10)5-8(11)4-6/h3-5,10-11H,2H2,1H3 |
InChI Key: | APHYVLPIZUVDTK-UHFFFAOYSA-N |
Boiling Point: | 356.2±12.0°C at 760 Torr |
Melting Point: | 128.5°C |
Density: | 1.294±0.06 g/cm3 |
Appearance: | White to off-white powder or crystals |
MDL: | MFCD00020122 |
LogP: | 1.27450 |
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 |
WO-2020107913-A1 | Compound or salt thereof, preparation method and uses thereof | 20181126 |
EP-3650440-A1 | Benzoic ester compound | 20180827 |
WO-2020045326-A1 | Benzoic ester compound | 20180827 |
JP-6773938-B2 | Benzoic acid ester compound | 20180827 |
JP-WO2020045326-A1 | Benzoic acid ester compound | 20180827 |
Complexity: | 171 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 182.05790880 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 182.05790880 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 66.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS