Ethyl salicylate

CAT: 0127-BUP14690Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-BUP14690Size:5 g

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CAS Number

118-61-6

Purity

=98%

Smiles

CCOC(=O)c1ccccc1O

Chemical Information

Ethyl Salicylate

Ethyl salicylate is a hydroxybenzoic acid.

CAS Number	118-61-6
PubChem CID	8365
IUPAC Name	ethyl 2-hydroxybenzoate
Molecular Formula	C9H10O3
Molecular Weight	166.17
XLogP	3
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	12
Formal Charge	0
Complexity	156

SMILES

CCOC(=O)C1=CC=CC=C1O

InChI

InChI=1S/C9H10O3/c1-2-12-9(11)7-5-3-4-6-8(7)10/h3-6,10H,2H2,1H3

InChIKey

GYCKQBWUSACYIF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 118-61-6

CID: 8365

Formula: C9H10O3

MW: 166.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	166.17
XLogP3	3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	166.062994177
Monoisotopic Mass	166.062994177
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	156
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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