Methyl 2,6-dihydroxybenzoate

CAT: 0127-OR27592-01Size: 1 gDry Ice: NoHazardous: No

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CAS Number

2150-45-0

Synonyms

2- (Methoxycarbonyl) benzene-1,3-diol, 2- (Methoxycarbonyl) resorcinol

MDL Number

MFCD00059619

Purity

98%

Smiles

COC(=O)c1c(O)cccc1O

Chemical Information

Methyl 2,6-dihydroxybenzoate

Methyl 2,6-dihydroxybenzoate is a member of phenols and a benzoate ester. It is functionally related to a salicylic acid.

CAS Number	2150-45-0
PubChem CID	519869
IUPAC Name	methyl 2,6-dihydroxybenzoate
Molecular Formula	C8H8O4
Molecular Weight	168.15
XLogP	2
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	158

SMILES

COC(=O)C1=C(C=CC=C1O)O

InChI

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

InChIKey

WCQZCKUNZVMBDC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2150-45-0

CID: 519869

Formula: C8H8O4

MW: 168.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	168.15
XLogP3	2
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	158
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
OR26179	Methyl 3-chloro-2,6-dihydroxybenzoate
BUP14605-01	Methyl 2,4-dihydroxybenzoate
OR911539-01	Methyl 2,3-dihydroxybenzoate
OR46230-01	Methyl 2,4-dihydroxybenzoate
OR350235-01	Methyl 2,5-dihydroxybenzoate
BUP14593-01	Methyl 3,4-dihydroxybenzoate
OR1055405-01	Methyl 5-bromo-2,4-dihydroxybenzoate
OR92809-01	Methyl 5-bromo-2,3-dihydroxybenzoate
OR24884-01	Methyl 3,5-dihydroxybenzoate
OR350236-01	Methyl 3,4-dihydroxybenzoate