3-Hydroxy-2-methoxybenzoic acid

CAT: 0127-OR957576Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR957576Size:1 g

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CAS Number

2169-28-0

MDL Number

MFCD03840538

Purity

95%

Smiles

COc1c(O)cccc1C(=O)O

Chemical Information

3-Hydroxy-2-methoxybenzoic acid

3-Hydroxy-2-methoxybenzoic acid has been reported in Populus euphratica with data available.

CAS Number	2169-28-0
PubChem CID	13434501
IUPAC Name	3-hydroxy-2-methoxybenzoic acid
Molecular Formula	C8H8O4
Molecular Weight	168.15
XLogP	1
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=C1O)C(=O)O

InChI

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

InChIKey

DSMHCSBCMFQGAZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2169-28-0

CID: 13434501

Formula: C8H8O4

MW: 168.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	168.15
XLogP3	1
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
OR78133-01	3-Hydroxy-5-methoxybenzoic acid
OR1181-01	4-Hydroxy-3-methoxybenzoic acid
BUP19493	2-Hydroxy-6-methoxybenzoic acid
OR77415-01	5-Hydroxy-2-methoxybenzoic acid
OR17911-01	3-Hydroxy-4-methoxybenzoic acid
BUP18980	2-Hydroxy-4-methoxybenzoic acid
OR14337-01	2-Hydroxy-6-methoxybenzoic acid
OR14335-01	2-Hydroxy-4-methoxybenzoic acid
OR8922-01	4-Hydroxy-2-methoxybenzoic acid
PC1023509-01	2-fluoro-6-hydroxy-3-methoxybenzoic acid

Catalog	Name
ZGB26901	2-hydroxy-3-methoxybenzoic acid, 2-hydroxy-3-methoxybenzoic acid, copper salt
sc-238068	2-Hydroxy-3-methoxybenzoic acid
FH36366-01	3-Hydroxy-2-methoxybenzoic acid
C6960-100	2-Hydroxy-6-methoxybenzoic acid
HY-75625-01	2-Hydroxy-4-methoxybenzoic acid
TRC-H855035-500MG	5-Hydroxy-2-methoxybenzoic acid
425962-01	3-Hydroxy-4-methoxybenzoic acid
FH00443-01	4-Hydroxy-3-methoxybenzoic acid
QDA11134-01	4-Hydroxy-2-methoxybenzoic acid
sc-238073A	2-Hydroxy-5-methoxybenzoic acid