4-hydroxy-2-methoxybenzoic acid

CAT: 1731-AL BE 0569-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:1731-AL BE 0569-01Size:1 mg

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CAS Number

90111-34-5

MDL Number

MFCD06203226

Purity

0.95

Smiles

COc1cc (O) ccc1C (=O) O

Shipping Conditions

Room temperature, no cold chain required

Chemical Information

4-Hydroxy-2-methoxybenzoic acid

4-Hydroxy-2-methoxybenzoic acid has been reported in Malva sylvestris, Kalanchoe deficiens, and other organisms with data available.

CAS Number	90111-34-5
PubChem CID	12695575
IUPAC Name	4-hydroxy-2-methoxybenzoic acid
Molecular Formula	C8H8O4
Molecular Weight	168.15
XLogP	1.4
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

COC1=C(C=CC(=C1)O)C(=O)O

InChI

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

InChIKey

GWYPJBKNXSRAPX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 90111-34-5

CID: 12695575

Formula: C8H8O4

MW: 168.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	168.15
XLogP3	1.4
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
AL BE 0907-01	2-chloro-3-hydroxy-4-methoxybenzoic acid
AL BE 0917-01	2,6-dichloro-3-hydroxy-4-methoxybenzoic acid
AL BE 0900-01	3-fluoro-4-hydroxy-5-methoxybenzoic acid
AL BE 0696-01	3-chloro-4-hydroxy-5-methoxybenzoic acid
AN EU 3302-01	2,3,6-trichloro-5-hydroxy-4-methoxybenzoic acid
AL BE 0456-01	2-fluoro-4-methoxybenzoic acid
BW GA 0151-01	3-tert-butyl-5- (1-hydroxy-3,4-dioxonaphthalen-2-yl) -2-methoxybenzoic acid
AL BE 0053-01	5-bromo-2-methoxybenzoic acid
AL BE 1511-01	2-hydroxy-4-phenylmethoxybenzoic acid
AL BE 1275-01	2,3-difluoro-6-methoxybenzoic acid

Catalog	Name
HY-75625-01	2-Hydroxy-4-methoxybenzoic acid
QDA11134-01	4-Hydroxy-2-methoxybenzoic acid
A20620-5000	2-Hydroxy-4-methoxybenzoic acid 5g
HY-W097858-01	2-Hydroxy-4-methoxybenzoic acid (potassium)
TN8323-01	2-Hydroxy-4-methoxybenzoic acid potassium
A20620-10000	2-Hydroxy-4-methoxybenzoic acid 10g
A20620-1000	2-Hydroxy-4-methoxybenzoic acid 1g
OR1181-01	4-Hydroxy-3-methoxybenzoic acid
425962-01	3-Hydroxy-4-methoxybenzoic acid
417791	2-Fluoro-4-hydroxy-5-methoxybenzoic Acid