Benzoic acid, hydroxy-,ethyl ester

: Iupac Name：ethyl 2-hydroxybenzoate; CAS No.: 1321-50-2; Molecular Weight：166.1739; Modify Date.: 2020-10-21 22:45

1. Names and Identifiers

: 1.1 Name; Benzoic acid, hydroxy-,ethyl ester; 1.2 Synonyms; 112291_ALDRICH 2-Hydroxybenzoic acid ethyl ester 4-10-00-00149 (Beilstein Handbook Reference) AC1L1QUE AC1Q33MS AC1Q64KS AI3-00513 AKOS000120529 AR-1L3946 Benzoic acid, 2-hydroxy-, ethyl ester Benzoic acid, hydroxy-, ethyl ester BRN 0907659 EINECS 204-265-5 ETHYL 2-HYDROXYBENZOATE Ethyl hydroxybenzoate Ethyl o-hydroxybenzoate Ethyl salicylate FEMA No. 2458 I01-7776 InChI=1/C9H10O3/c1-2-12-9(11)7-5-3-4-6-8(7)10/h3-6,10H,2H2,1H LS-2748 Mesotol NCGC00181161-01 NCGC00181161-02 NCGC00181161-03 NSC 8209 NSC8209 NSC-8209 o-(Ethoxycarbonyl)phenol S0011 Sal ether Sal ethyl Salicyclic acid, ethyl ester Salicylic Acid Ethyl Ester Salicylic acid, ethyl ester Salicylic ether Salicylic ethyl ester Salotan SBB058594 STK397384 UNII-555U6TZ2MV W245801_ALDRICH WLN: QR BVO2 ZINC00157490; View all

2. Properties

2.2 Water Solubility: slightly soluble in water, glycerol; soluble in organic solvents, oils

3. Computational chemical data

Molecular Weight: 166.1739g/mol
Molecular Formula: C₉H₁₀O₃
Compound Is Canonicalized: True
XLogP3-AA: null
Exact Mass: 166.062994177
Monoisotopic Mass: 166.062994177
Complexity: 156
Rotatable Bond Count: 3
Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 3
Topological Polar Surface Area: 46.5
Heavy Atom Count: 12
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADccBwMAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAACAAADASgmAIyDoAABgCIAiDSCAACAAAkIAAIiAEGCMgIJzaCNRqCcUAl4BEIuYeIyCCOAAAAAAAIAAAAAAAAABAAAAAAAAAAAA==