Methyl 3-hydroxy-5-methoxybenzoate

CAT: 0127-OR76771-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR76771-01Size:100 mg

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CAS Number

19520-74-2

MDL Number

MFCD00601487

Purity

97%

Smiles

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

Chemical Information

Methyl 3-hydroxy-5-methoxybenzoate

CAS Number	19520-74-2
PubChem CID	13941268
IUPAC Name	methyl 3-hydroxy-5-methoxybenzoate
Molecular Formula	C9H10O4
Molecular Weight	182.17
XLogP	1.8
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	180

SMILES

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

InChI

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

InChIKey

MNWFENBPJIWZOZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 19520-74-2

CID: 13941268

Formula: C9H10O4

MW: 182.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	182.17
XLogP3	1.8
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	180
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
OR1098670	Methyl 5-hydroxy-2-methoxybenzoate
OR91443-01	Methyl 5-bromo-2-hydroxy-3-methoxybenzoate
OR40036	Methyl 3-amino-4-hydroxy-5-methoxybenzoate
OR40281	Methyl 3-amino-2-hydroxy-5-methoxybenzoate
OR1054534-01	Methyl 3-bromo-4-hydroxy-5-methoxybenzoate
OR1089926	Methyl 4-hydroxy-3-iodo-5-methoxybenzoate
PC110208-01	Methyl 3-fluoro-4-hydroxy-5-methoxybenzoate
PC510206-01	Methyl 3-Fluoro-5-hydroxy-4-methoxybenzoate
OR1045276-01	Methyl 3-hydroxy-2-methoxybenzoate
OR15107	Methyl 3-hydroxy-4-methoxybenzoate

Catalog	Name
UAA52074	Methyl 3-hydroxy-5-methoxybenzoate
AR-M03002-01	Methyl 2-Hydroxy-5-methoxybenzoate
FM70892-01	Methyl 5-allyl-2-hydroxy-3-methoxybenzoate
455660-01	Methyl 5-bromo-2-hydroxy-3-methoxybenzoate
sc-353859	Methyl 3-allyl-4-hydroxy-5-methoxybenzoate
TPD50808-01	Methyl 3- (cyclopropylmethyl) -4-hydroxy-5-methoxybenzoate
455175-01	Methyl 3-bromo-4-hydroxy-5-methoxybenzoate
FM71070-01	Methyl 2-hydroxy-3-methoxybenzoate
455257-01	Methyl 3-hydroxy-4-methoxybenzoate
TRC-M327117-100MG	(Methyl-d3) 2-Hydroxy-5-methoxybenzoate