Methyl 5-formyl-2-methoxybenzoate

CAT: 1489-M6890-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:1489-M6890-01Size:1 g

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CAS Number

78515-16-9

Chemical Information

Methyl 5-formyl-2-methoxybenzoate

CAS Number	78515-16-9
PubChem CID	10856352
IUPAC Name	methyl 5-formyl-2-methoxybenzoate
Molecular Formula	C10H10O4
Molecular Weight	194.18
XLogP	1.5
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=C(C=C1)C=O)C(=O)OC

InChI

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

InChIKey

CNRMXICSYWVJRD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 78515-16-9

CID: 10856352

Formula: C10H10O4

MW: 194.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	194.18
XLogP3	1.5
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
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M6820-01	5-Methyl furfural
B7660-01	1H-Benzimidazole-2-carboxylicacid,5-methyl- (9CI)
M9320-01	Methyl-5-norbornene-2,3-dicarboxylic anhydride
B8440-01	Benzo[b]Thiophene, 2-[ (5-broMo-2-Fluorophenyl) Methyl]-
M2590	2- (2-Methyl-2H-tetrazol-5-yl) -5- (4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl) pyridine
M3260-01	2-Mercapto-5-methyl-1,3,4-thiadiazole
M6720-01	3- (4-Methyl-2,5-dioxo-2,5-dihydrofuran-3-yl) propanoic acid

Catalog	Name
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