2,4,5-trimethoxybenzonitrile

CAT: 0024-sc-275372Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-275372Size:1 g

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CAS Number

14894-77-0

Chemical Information

2,4,5-Trimethoxybenzonitrile

CAS Number	14894-77-0
PubChem CID	910015
IUPAC Name	2,4,5-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	223

SMILES

COC1=CC(=C(C=C1C#N)OC)OC

InChI

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

InChIKey

QYLMOMNYCPHSJW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 14894-77-0

CID: 910015

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	223
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-225719	2,4,6-Trimethoxybenzonitrile
sc-226255	3,4,5-Trimethoxybenzonitrile
sc-275294	2,3,4-Trimethoxybenzonitrile
sc-311070	4,4'-Dimethoxy-2,2'5,5'-tetraacetoxybiphenyl
sc-352595A	5- (2,4-difluorophenyl) -5-methylimidazolidine-2,4-dione
sc-277871	5- (2,4-dichlorophenyl) -5-methylimidazolidine-2,4-dione
sc-289494	4- (4-amino-2,5-dimethylbenzyl) -2,5-dimethylaniline
sc-238260	2,2',4,4',5,5'-Hexachlorobiphenyl (IUPAC No. 153)
sc-352595	5- (2,4-difluorophenyl) -5-methylimidazolidine-2,4-dione
sc-225585	2,2',3,4,4',5'-HexaBDE

Catalog	Name
OR49027-01	2,4,5-Trimethoxybenzonitrile
T26035-01	3,4,5-Trimethoxybenzonitrile
T26033-01	2,3,4-Trimethoxybenzonitrile
FT70726-01	2,4,6-Trimethoxybenzonitrile
419542	2,2',4,4',5,5'-Hexachlorobiphenyl
JH920087	4,4,4',4',5,5,5',5'-octaethyl-2,2'-bi (1,3,2-dioxaborolane)
PC107420	4- (4,4,5,5,5-Pentafluoropentoxy) -N- (2,2,2-trifluoroethyl) aniline
PC450323	4,4,5,5,5-Pentafluoropentyl 2,2,2-trifluoroethyl carbonate
TRC-H265060-250MG	2,2',3,4,4',5,5'-Heptachlorobiphenyl
AR-D01954-01	2,2',4,4',5,5'-Hexabromodiphenyl Ether