Methyl 4- (hydroxymethyl) -3-methoxybenzoate

CAT: 0926-EDA23696-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0926-EDA23696-01Size:1 g

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CAS Number

79236-96-7

MDL Number

MFCD15202212

Smiles

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

Molecular Formula

C10H12O4

Molecular Weight

196.2 g/mol

Controlled

Chemical Information

Methyl 4-(hydroxymethyl)-3-methoxybenzoate

CAS Number	79236-96-7
PubChem CID	10584034
IUPAC Name	methyl 4-(hydroxymethyl)-3-methoxybenzoate
Molecular Formula	C10H12O4
Molecular Weight	196.20
XLogP	0.9
Topological Polar Surface Area	55.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	14
Formal Charge	0
Complexity	193

SMILES

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

InChI

InChI=1S/C10H12O4/c1-13-9-5-7(10(12)14-2)3-4-8(9)6-11/h3-5,11H,6H2,1-2H3

InChIKey

DQEZWNXDNYVFND-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 79236-96-7

CID: 10584034

Formula: C10H12O4

MW: 196.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	196.20
XLogP3	0.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	196.07355886
Monoisotopic Mass	196.07355886
Topological Polar Surface Area	55.8 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	193
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
FM36573-01	Methyl 4-methoxybenzoate
MGA14156-01	Methyl 4- (chlorosulfonyl) -3-methoxybenzoate
ZCA73324-01	Methyl 4-formyl-3-methoxybenzoate
SHA32312-01	Methyl 3- (chlorosulfonyl) -4-methoxybenzoate
CNB28555-01	Methyl 4-hydrazinyl-3-methoxybenzoate
VCA26494	Methyl 4- (bromomethyl) -3-methoxybenzoate
FM54327-01	Methyl 3-iodo-4-methoxybenzoate
VFA74255-01	Methyl 3-formyl-4-methoxybenzoate
FM32989	Methyl 4-benzyloxy-3-methoxybenzoate
FM37114-01	Methyl 3-methoxybenzoate

Catalog	Name
OR76840-01	Methyl 4- (hydroxymethyl) -3-methoxybenzoate
OR948040-01	Methyl 3- (hydroxymethyl) -5-methoxybenzoate
OR85246-01	Methyl 3- (hydroxymethyl) -2-methoxybenzoate
455620-01	Methyl 5- (Hydroxymethyl) -2-methoxybenzoate
OR85711-01	Methyl 4- (hydroxymethyl) -2-methoxybenzoate
TRC-M312165-750MG	Methyl 5-(Hydroxymethyl)-2-methoxybenzoate
OR1057850-01	Methyl 3- (hydroxymethyl) cyclohexanecarboxylate
TRC-M265555-10G	Methyl 3-(Hydroxymethyl)Benzoate
OR931154-01	Methyl 3- (hydroxymethyl) benzoate
OR1046100-01	Cis-Methyl 3- (hydroxymethyl) cyclobutanecarboxylate