Methyl 3-formyl-2-methoxybenzoate

CAT: 0127-OR1045567-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1045567-01Size:100 mg

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CAS Number

186312-96-9

MDL Number

MFCD24387418

Purity

95%

Smiles

O=C(OC)C1=CC=CC(C=O)=C1OC

Chemical Information

Methyl 3-formyl-2-methoxybenzoate

CAS Number	186312-96-9
PubChem CID	72710431
IUPAC Name	methyl 3-formyl-2-methoxybenzoate
Molecular Formula	C10H10O4
Molecular Weight	194.18
XLogP	1.2
Topological Polar Surface Area	52.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	14
Formal Charge	0
Complexity	214

SMILES

COC1=C(C=CC=C1C(=O)OC)C=O

InChI

InChI=1S/C10H10O4/c1-13-9-7(6-11)4-3-5-8(9)10(12)14-2/h3-6H,1-2H3

InChIKey

VCIXZSDQNCRNMK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 186312-96-9

CID: 72710431

Formula: C10H10O4

MW: 194.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	194.18
XLogP3	1.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	194.05790880
Monoisotopic Mass	194.05790880
Topological Polar Surface Area	52.6 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	214
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
OR941918-01	Methyl 4-formyl-3-methoxybenzoate
OR310929-01	Methyl 3-formyl-4-methoxybenzoate
OR951320-01	Methyl 5-formyl-2-methoxybenzoate
OR1095322	Methyl 2-formyl-4-methoxybenzoate
OR1032535-01	Methyl 2-formyl-6-methoxybenzoate
OR907907-01	Methyl 3-formyl-5-methoxybenzoate
OR1006479-01	Methyl 2-formyl-5-methoxybenzoate
OR400412-01	Methyl 4-formyl-2-methoxybenzoate
OR1087625-01	Ethyl 3-formyl-2-methoxybenzoate
PC1015516-01	Methyl 5-fluoro-4-formyl-2-methoxybenzoate

Catalog	Name
UCA02610-01	Methyl 3-formyl-5-methoxybenzoate
TRC-M305883-1G	Methyl 4-Formyl-3-methoxybenzoate
CDA62005-01	Methyl 2-formyl-5-methoxybenzoate
VFA74255-01	Methyl 3-formyl-4-methoxybenzoate
455719-01	Methyl 5-Formyl-2-methoxybenzoate
JH339265	Methyl 4-formyl-2-methoxybenzoate
FM37114-01	Methyl 3-methoxybenzoate
FM36570-01	Methyl 2-methoxybenzoate
454937-01	Methyl 2-fluoro-3-methoxybenzoate
455232-01	Methyl 3-fluoro-2-methoxybenzoate