Ethyl 2,3-dihydroxybenzoate

CAT: 0127-OR25996-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR25996-01Size:250 mg

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CAS Number

3943-73-5

Synonyms

3- (Ethoxycarbonyl) benzene-1,2-diol, 3- (Ethoxycarbonyl) catechol

MDL Number

MFCD03644149

Purity

95%

Smiles

CCOC(=O)c1cccc(O)c1O

Chemical Information

Ethyl 2,3-dihydroxybenzoate

CAS Number	3943-73-5
PubChem CID	2779843
IUPAC Name	ethyl 2,3-dihydroxybenzoate
Molecular Formula	C9H10O4
Molecular Weight	182.17
XLogP	2.6
Topological Polar Surface Area	66.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	180

SMILES

CCOC(=O)C1=C(C(=CC=C1)O)O

InChI

InChI=1S/C9H10O4/c1-2-13-9(12)6-4-3-5-7(10)8(6)11/h3-5,10-11H,2H2,1H3

InChIKey

RHMQSXRCGOZYND-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3943-73-5

CID: 2779843

Formula: C9H10O4

MW: 182.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	182.17
XLogP3	2.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	182.05790880
Monoisotopic Mass	182.05790880
Topological Polar Surface Area	66.8 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	180
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
BUP16470	ETHYL 3,5-DIHYDROXYBENZOATE
OR18368-01	Ethyl 3,4-dihydroxybenzoate
OR1013144-01	Ethyl 2,4-Dihydroxybenzoate
BUP18061-01	Ethyl 3,4-dihydroxybenzoate
OR55175-01	Ethyl 3,5-dihydroxybenzoate
OR83436-01	Ethyl 4-bromo-2,3-dihydroxybenzoate
OR911539-01	Methyl 2,3-dihydroxybenzoate
OR26179	Methyl 3-chloro-2,6-dihydroxybenzoate
OR92809-01	Methyl 5-bromo-2,3-dihydroxybenzoate
BUP14593-01	Methyl 3,4-dihydroxybenzoate