Methyl 2,3-dihydroxybenzoate

CAT: 0127-OR911539-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR911539-01Size:5 g

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CAS Number

2411-83-8

MDL Number

MFCD00039520

Purity

97%

Smiles

COC(=O)c1cccc(O)c1O

Chemical Information

Methyl 2,3-Dihydroxybenzoate

Methyl 2,3-dihydroxybenzoate has been reported in Cedronella canariensis with data available.

CAS Number	2411-83-8
PubChem CID	75484
IUPAC Name	methyl 2,3-dihydroxybenzoate
Molecular Formula	C8H8O4
Molecular Weight	168.15
XLogP	1.5
Topological Polar Surface Area	66.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	168

SMILES

COC(=O)C1=C(C(=CC=C1)O)O

InChI

InChI=1S/C8H8O4/c1-12-8(11)5-3-2-4-6(9)7(5)10/h2-4,9-10H,1H3

InChIKey

DOAJWTSNTNAEIY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2411-83-8

CID: 75484

Formula: C8H8O4

MW: 168.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	168.15
XLogP3	1.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	168.04225873
Monoisotopic Mass	168.04225873
Topological Polar Surface Area	66.8 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	168
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
BUP14593-01	Methyl 3,4-dihydroxybenzoate
BUP14605-01	Methyl 2,4-dihydroxybenzoate
OR27592-01	Methyl 2,6-dihydroxybenzoate
OR46230-01	Methyl 2,4-dihydroxybenzoate
OR350235-01	Methyl 2,5-dihydroxybenzoate
OR24884-01	Methyl 3,5-dihydroxybenzoate
OR350236-01	Methyl 3,4-dihydroxybenzoate
BUP19152	Methyl 3,5-dihydroxybenzoate
OR26179	Methyl 3-chloro-2,6-dihydroxybenzoate
OR92809-01	Methyl 5-bromo-2,3-dihydroxybenzoate

Catalog	Name
sc-481489	Methyl 2,3-dihydroxybenzoate
M31305-01	Methyl 2,6-dihydroxybenzoate
M23976-01	Methyl 2,4-dihydroxybenzoate
455025-01	Methyl 2, 5-Dihydroxybenzoate
TYD-00772-01	Methyl 2,5-dihydroxybenzoate
MBS576410	Methyl 3, 5-dihydroxybenzoate
GTR19162765-01	Methyl 3,5-dihydroxybenzoate
GTR19176135-01	Methyl 3,4-dihydroxybenzoate
RAA84978-01	Methyl 2-formyl-3,5-dihydroxybenzoate