2,4,6-Trimethoxybenzonitrile

CAT: 0024-sc-225719Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-225719Size:5 g

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CAS Number

2571-54-2

Chemical Information

2,4,6-Trimethoxybenzonitrile

CAS Number	2571-54-2
PubChem CID	75731
IUPAC Name	2,4,6-trimethoxybenzonitrile
Molecular Formula	C10H11NO3
Molecular Weight	193.20
XLogP	1.6
Topological Polar Surface Area	51.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	14
Formal Charge	0
Complexity	209

SMILES

COC1=CC(=C(C(=C1)OC)C#N)OC

InChI

InChI=1S/C10H11NO3/c1-12-7-4-9(13-2)8(6-11)10(5-7)14-3/h4-5H,1-3H3

InChIKey

GBRHJUMDNWLSCT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2571-54-2

CID: 75731

Formula: C10H11NO3

MW: 193.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	193.20
XLogP3	1.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	193.07389321
Monoisotopic Mass	193.07389321
Topological Polar Surface Area	51.5 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	209
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
sc-275372	2,4,5-trimethoxybenzonitrile
sc-275294	2,3,4-Trimethoxybenzonitrile
sc-226255	3,4,5-Trimethoxybenzonitrile
sc-223462	2,2,4,4,6,6-Hexamethylcyclotrisilazane
sc-223462A	2,2,4,4,6,6-Hexamethylcyclotrisilazane
sc-225716	2,4,6-Triethyl-2,4,6-trimethylcyclotrisiloxane
sc-231035	2,4,6-Trimethyl-2,4,6-trivinylcyclotrisilazane
sc-209288	2,2,6,6-Tetramethyl-4- (4'-toluenesulfonate) piperidinooxyl
sc-257864	N-Nitrosodiphenylamine-2,2',4,4',6,6'-d6
sc-210105	4-Methacrylamido-2,2,6,6-tetramethylpiperidine

Catalog	Name
FT70726-01	2,4,6-Trimethoxybenzonitrile
T26033-01	2,3,4-Trimethoxybenzonitrile
OR49027-01	2,4,5-Trimethoxybenzonitrile
T26035-01	3,4,5-Trimethoxybenzonitrile
TRC-H295030-50MG	2,2',4,4',6,6'-Hexachlorobiphenyl
JH14558	2,2,4,4,6,6-Hexamethylcyclotrisilazane
OR27962	2,2,4,4,6,6-Hexamethylheptane
AR-B07334-01	2,2'4,4',6,6'-Hexabromobiphenyl
FH102053-01	2,2,4,4,6,6-Hexakis (2,2-difluoroethoxy) -2,2,4,4,6,6-hexahydro-1,3,5,2,4,6-triazatriphosphorine
OR75211-01	4,4,4',4',6,6,6',6'-Octamethyl-2,2'-bi (1,3,2-dioxaborinane)