Ethyl 2,4,5-trimethoxybenzoate

CAT: 1596-AR-A01314-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-A01314-01Size:10 Units

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CAS Number

163936-30-9

Synonyms

Ethyl 2,4,5-trimethoxybenzoate

Molecular Formula

C12H16O5

Molecular Weight

240.26

API Name

Acotiamide

Chemical Information

Ethyl 2,4,5-trimethoxybenzoate

CAS Number	163936-30-9
PubChem CID	43389560
IUPAC Name	ethyl 2,4,5-trimethoxybenzoate
Molecular Formula	C12H16O5
Molecular Weight	240.25
XLogP	2.1
Topological Polar Surface Area	54
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	17
Formal Charge	0
Complexity	243

SMILES

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

InChI

InChI=1S/C12H16O5/c1-5-17-12(13)8-6-10(15-3)11(16-4)7-9(8)14-2/h6-7H,5H2,1-4H3

InChIKey

MJZVDUVEECRKEN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 163936-30-9

CID: 43389560

Formula: C12H16O5

MW: 240.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	240.25
XLogP3	2.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	240.09977361
Monoisotopic Mass	240.09977361
Topological Polar Surface Area	54 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	243
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
AR-A01319-01	N- (2- (diisopropylamino) ethyl) -2,4,5-trimethoxybenzamide
AR-M08101-01	Ethyl 4,5-Bis- (2-methoxyethoxy) -2-aminobenzoate
AR-P02158-01	Ethyl 2- ((4,5-dichloropyridin-2-yl) amino) -2-oxoacetate
AR-E01752-01	Ethyl 3,4-bis (2-methoxyethoxy) -5-nitrobenzoate
AR-P03309-01	4-Ethyl-2-Methylpyridine
AR-S01631-01	(R) -ethyl 3-amino-4- (2,4,5-trifluorophenyl) butanoate
AR-B08086-01	Ethyl 2-Cyano-4,4-Diethoxybutyrate
AR-T06027-01	4,6-Dimethyl-2-ethyl-1,3,5-trioxane
AR-P29675-01	2-Ethyl-3,5-dimethylpyrazine
AR-V07130-01	Ethyl 5-nitrobenzofuran-2-carboxylate

Catalog	Name
FE71212-01	Ethyl 3,4,5-trimethoxybenzoate
HY-W012092R	Ethyl 3,4,5-trimethoxybenzoate (Standard)
JFC42863-01	Ethyl 6-amino-2,3,4-trimethoxybenzoate hydrochloride
TRC-E925225-5G	5-Ethyl-2-[2-(4-nitrophenoxy)ethyl]pyridine
275291-01	5-Ethyl-2-[2- (4-nitrophenoxy) ethyl]pyridine
OR1060646-01	Ethyl 4-ethyl-2-methyloxazole-5-carboxylate
436380-01	5-Ethyl-2,4-piperidinedione
sc-358173A	Ethyl 2,4,5-trifluorobenzoate
PC1012846-01	5-Ethyl-2,4-difluorobenzaldehyde
sc-263211	Ethyl 2,4,5-trifluorobenzoylacetate