2-Methoxy-6-methylbenzoic acid

CAT: 0127-OR18565-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR18565-01Size:5 g

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CAS Number

6161-65-5

MDL Number

MFCD00463871

Purity

98%

Smiles

COc1cccc(C)c1C(=O)O

Chemical Information

2-Methoxy-6-methylbenzoic acid

CAS Number	6161-65-5
PubChem CID	273170
IUPAC Name	2-methoxy-6-methylbenzoic acid
Molecular Formula	C9H10O3
Molecular Weight	166.17
XLogP	1.7
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	167

SMILES

CC1=C(C(=CC=C1)OC)C(=O)O

InChI

InChI=1S/C9H10O3/c1-6-4-3-5-7(12-2)8(6)9(10)11/h3-5H,1-2H3,(H,10,11)

InChIKey

MICCJGFEXKNBLU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6161-65-5

CID: 273170

Formula: C9H10O3

MW: 166.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	166.17
XLogP3	1.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	166.062994177
Monoisotopic Mass	166.062994177
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	167
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
PC1010062-01	2-fluoro-3-methoxy-6-methylbenzoic acid
OR1080349-01	2-methoxy-4- (methoxymethoxy) -6-methylbenzoic acid
PC1025662-01	2-Bromo-3-methoxy-6-methylbenzoic acid
OR303908	6-Bromo-3-methoxy-2-methylbenzoic acid
OR1085638-01	2-chloro-6-methoxy-3-methylbenzoic acid
OR1088386-01	2-Chloro-4-methoxy-6-methylbenzoic acid
PC1024414	3-Fluoro-6-methoxy-2-methylbenzoic acid
PC1023665	6-Fluoro-2-methoxy-3-methylbenzoic acid
OR1085605-01	2-Bromo-3-methoxy-6-methylbenzoic acid
OR91849-01	3-Bromo-6-methoxy-2-methylbenzoic acid

Catalog	Name
418610-01	2-Methoxy-6-methylbenzoic acid
FH184463	4-Hydroxy-2-methoxy-6-methylbenzoic acid
CHC32775-01	2-Fluoro-4-methoxy-6-methylbenzoic acid
GCB46788-01	3-Bromo-2-methoxy-6-methylbenzoic acid
VMB98191-01	2-Formyl-6-methoxy-3-methylbenzoic acid
283036-01	2-Methoxy-6-methylbenzoic acid ethyl ester
QDA32137-01	2-Amino-3-methoxy-6-methylbenzoic acid
VIA90125	3-Bromo-6-methoxy-2-methylbenzoic acid
FM139661-01	5-Methoxy-2-methylbenzoic acid
426228-01	3-Methoxy-2-methylbenzoic acid