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Ethyl Orsellinate

CAT: 0013-GTR19171659-01Size: 1 ml x 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0013-GTR19171659-01Size:1 ml x 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Ethyl Orsellinate
CAS Number
2524-37-0
Product Name Alternative
Bacterial, Inhibitor, Ethyl Orsellinate, inhibit, Orsellinic acid ethyl ester
Field of Research
Infectious Disease & Virology
Purity
97.10% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (10.19 mM) ; DMSO:60 mg/mL (305.81 mM)
Smiles
CCOC (=O) C1=C (O) C=C (O) C=C1C
Molecular Formula
C10H12O4
Molecular Weight
196.2
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Ethyl orsellinate

2,4-dihydroxy-6-methylbenzoic acid ethyl ester is a 4-hydroxybenzoate ester.

CAS Number2524-37-0
PubChem CID75653
IUPAC Nameethyl 2,4-dihydroxy-6-methylbenzoate
Molecular FormulaC10H12O4
Molecular Weight196.20
XLogP2.3
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity204
SMILES
CCOC(=O)C1=C(C=C(C=C1C)O)O
InChI
InChI=1S/C10H12O4/c1-3-14-10(13)9-6(2)4-7(11)5-8(9)12/h4-5,11-12H,3H2,1-2H3
InChIKey
UQSRXQMIXSZGLA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl orsellinate
CAS: 2524-37-0
CID: 75653
Formula: C10H12O4
MW: 196.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight196.20
XLogP32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass196.07355886
Monoisotopic Mass196.07355886
Topological Polar Surface Area66.8 Ų
Heavy Atom Count14
Formal Charge0
Complexity204
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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