4-Hydroxy-2-methoxy-6-methylbenzoic acid

CAT: 0926-FH184463Size: 0.05 gDry Ice: NoHazardous: No

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CAT#:0926-FH184463Size:0.05 g

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CAS Number

3733-95-7

Molecular Formula

C9H10O4

Molecular Weight

182.17 g/mol

Controlled

Chemical Information

4-Hydroxy-2-methoxy-6-methylbenzoic acid

Isoevernic acid is a methoxybenzoic acid.

CAS Number	3733-95-7
PubChem CID	12310988
IUPAC Name	4-hydroxy-2-methoxy-6-methylbenzoic acid
Molecular Formula	C9H10O4
Molecular Weight	182.17
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	13
Formal Charge	0
Complexity	192

SMILES

CC1=CC(=CC(=C1C(=O)O)OC)O

InChI

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

InChIKey

HKYUPCAKFRQXJI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3733-95-7

CID: 12310988

Formula: C9H10O4

MW: 182.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	182.17
XLogP3	1.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	182.05790880
Monoisotopic Mass	182.05790880
Topological Polar Surface Area	66.8 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	192
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
CHC32775-01	2-Fluoro-4-methoxy-6-methylbenzoic acid
FH69926-01	2-Hydroxy-6-methylbenzoic acid
EAA38642-01	2-Hydroxy-3-methoxy-5-methylbenzoic acid
FM37499-01	3-Methoxy-4-methylbenzoic acid
FH36615-01	4-Hydroxy-3-methylbenzoic acid
FH14549-01	3-Hydroxy-4-methylbenzoic acid
GCB46788-01	3-Bromo-2-methoxy-6-methylbenzoic acid
VMB98191-01	2-Formyl-6-methoxy-3-methylbenzoic acid
QDA32137-01	2-Amino-3-methoxy-6-methylbenzoic acid
VIA90125	3-Bromo-6-methoxy-2-methylbenzoic acid

Catalog	Name
OR1092148-01	4-Hydroxy-2-methoxy-6-methylbenzoic acid
OR96926	2-Hydroxy-4-methoxy-3-methylbenzoic acid
418610-01	2-Methoxy-6-methylbenzoic acid
GTR19272175-01	3-chloro-6-hydroxy-2-[4-hydroxy-2-methoxy-6- (methoxycarbonyl) phenoxy]-4-methylbenzoic acid
OR1035974-01	4-Bromo-2-methoxy-6-methylbenzoic acid
OR1080349-01	2-methoxy-4- (methoxymethoxy) -6-methylbenzoic acid
OR1088386-01	2-Chloro-4-methoxy-6-methylbenzoic acid
OR1087854	4- (benzyloxy) -2-methoxy-6-methylbenzoic acid
OR16150-01	2-Hydroxy-6-methylbenzoic acid
OR1097464-01	4-Bromo-2-hydroxy-6-methylbenzoic acid