Ethyl 2,6-dihydroxybenzoate - CAS 54640-04-9
Catalog: |
BB028744 |
Product Name: |
Ethyl 2,6-dihydroxybenzoate |
CAS: |
54640-04-9 |
Synonyms: |
ethyl 2,6-dihydroxybenzoate |
IUPAC Name: | ethyl 2,6-dihydroxybenzoate |
Description: | Ethyl 2,6-dihydroxybenzoate (CAS# 54640-04-9 ) is a useful research chemical. |
Molecular Weight: | 182.17 |
Molecular Formula: | C9H10O4 |
Canonical SMILES: | CCOC(=O)C1=C(C=CC=C1O)O |
InChI: | InChI=1S/C9H10O4/c1-2-13-9(12)8-6(10)4-3-5-7(8)11/h3-5,10-11H,2H2,1H3 |
InChI Key: | MIGILBRMELSWJT-UHFFFAOYSA-N |
Boiling Point: | 269.5 °C at 760 mmHg |
Density: | 1.294 g/cm3 |
Appearance: | White powder or crystals |
MDL: | MFCD03427045 |
LogP: | 1.27450 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-2567675-A2 | Bone-transplant or bone-filling composition comprising a dihydroxybenzoic acid derivative | 20100429 |
EP-2567675-B1 | Bone-transplant or bone-filling composition comprising a dihydroxybenzoic acid derivative | 20100429 |
JP-2013524990-A | Bone grafting or bone filling composition comprising a dihydroxybenzoic acid derivative | 20100429 |
JP-5717074-B2 | Bone grafting or bone filling composition comprising a dihydroxybenzoic acid derivative | 20100429 |
KR-101110720-B1 | Bone graft or bone filling composition comprising dihydroxybenzoic acid derivative | 20100429 |
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: | 2.3 |
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