2,6-Dimethoxybenzoic acid

CAT: 0127-OR4817-01Size: 25 gDry Ice: NoHazardous: No

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CAT#:0127-OR4817-01Size:25 g

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CAS Number

1466-76-8

MDL Number

MFCD00002437

Purity

99%

Smiles

COc1cccc(OC)c1C(=O)O

Chemical Information

2,6-Dimethoxybenzoic Acid

2,6-Dimethoxybenzoic acid is a member of benzenes and a carbonyl compound.

CAS Number	1466-76-8
PubChem CID	15109
IUPAC Name	2,6-dimethoxybenzoic acid
Molecular Formula	C9H10O4
Molecular Weight	182.17
XLogP	0.7
Topological Polar Surface Area	55.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	168

SMILES

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

InChI

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

InChIKey

MBIZFBDREVRUHY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1466-76-8

CID: 15109

Formula: C9H10O4

MW: 182.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	182.17
XLogP3	0.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	182.05790880
Monoisotopic Mass	182.05790880
Topological Polar Surface Area	55.8 Å²
Heavy Atom Count	13
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
PC1018468	2-fluoro-4,6-dimethoxybenzoic acid
OR1045891-01	2-Amino-3,6-dimethoxybenzoic acid
OR1048214-01	6-Bromo-2,3-dimethoxybenzoic acid
OR72230-01	6-Formyl-2,3-dimethoxybenzoic acid
OR1085035-01	2-bromo-3,6-dimethoxybenzoic acid
OR1093202	2-Bromo-4,6-dimethoxybenzoic acid
OR1057792-01	2-Chloro-4,6-dimethoxybenzoic acid
OR932337-01	2-Hydroxy-4,6-dimethoxybenzoic acid
OR1044492-01	2-Iodo-4,6-dimethoxybenzoic acid
OR90621-01	2-Amino-4,6-dimethoxybenzoic acid

Catalog	Name
C7168-1000	2,6-Dimethoxybenzoic acid
MBS3609325-01	2, 6-Dimethoxybenzoic acid
A15595-25000	2,6-Dimethoxybenzoic acid 25g
A15595-5000	2,6-Dimethoxybenzoic acid 5g
A15595-1000	2,6-Dimethoxybenzoic acid 1g
A15595-500	2,6-Dimethoxybenzoic acid 500mg
HY-76504R-01	2,6-Dimethoxybenzoic acid (Standard)
A15595-10000	2,6-Dimethoxybenzoic acid 10g
D33951-01	2,6-Dimethoxybenzoic acid 99%