5-Ethyl-2-hydroxybenzoic acid

CAT: 0127-OR926276-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR926276-01Size:100 mg

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CAS Number

51-27-4

MDL Number

MFCD11203618

Purity

95%

Smiles

CCc1ccc(O)c(c1)C(=O)O

Chemical Information

5-Ethyl-2-hydroxybenzoic acid

CAS Number	51-27-4
PubChem CID	438930
IUPAC Name	5-ethyl-2-hydroxybenzoic acid
Molecular Formula	C9H10O3
Molecular Weight	166.17
XLogP	3.2
Topological Polar Surface Area	57.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	167

SMILES

CCC1=CC(=C(C=C1)O)C(=O)O

InChI

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

InChIKey

WYIAFSIUYJGIPU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 51-27-4

CID: 438930

Formula: C9H10O3

MW: 166.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	166.17
XLogP3	3.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	166.062994177
Monoisotopic Mass	166.062994177
Topological Polar Surface Area	57.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	167
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

Catalog	Name
AAA05127-01	5-Ethyl-2-hydroxybenzoic acid
FC67861-01	2-Chloro-5-hydroxybenzoic acid ethyl ester
FF66938-01	2-Fluoro-5-hydroxybenzoic acid ethyl ester
sc-346889A	3-ethyl-2-hydroxybenzoic acid
XAA89053-01	4-Ethyl-2-hydroxybenzoic acid
A22672-01	2-Amino-5-hydroxybenzoic acid
BAA85523-01	5-Cyclohexyl-2-hydroxybenzoic acid
230165-01	2-Chloro-5-hydroxybenzoic acid
TRC-B594193-10MG	5-(Benzyloxy)-2-Hydroxybenzoic Acid
RG-E141485-01	5-Chloro-2-hydroxybenzoic acid