4-Methoxy-2-methylbenzonitrile

CAT: 0024-sc-280440ASize: 25 gDry Ice: NoHazardous: No

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CAT#:0024-sc-280440ASize:25 g

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CAS Number

21883-13-6

Chemical Information

4-Methoxy-2-methylbenzonitrile

CAS Number	21883-13-6
PubChem CID	3801022
IUPAC Name	4-methoxy-2-methylbenzonitrile
Molecular Formula	C9H9NO
Molecular Weight	147.17
XLogP	1.6
Topological Polar Surface Area	33
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	170

SMILES

CC1=C(C=CC(=C1)OC)C#N

InChI

InChI=1S/C9H9NO/c1-7-5-9(11-2)4-3-8(7)6-10/h3-5H,1-2H3

InChIKey

PXAQQUKODRZAOZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 21883-13-6

CID: 3801022

Formula: C9H9NO

MW: 147.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	147.17
XLogP3	1.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	147.068413911
Monoisotopic Mass	147.068413911
Topological Polar Surface Area	33 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	170
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-261038A	3-Methoxy-4-methylbenzonitrile
sc-261038	3-Methoxy-4-methylbenzonitrile
sc-230465	2-Methoxy-5-methylbenzonitrile
sc-229875	2-Amino-4-methylbenzonitrile
sc-232451	4-Bromo-2-methylbenzonitrile
sc-256735	4-Chloro-2-methylbenzonitrile
sc-232355	4-Acetamido-2-methylbenzonitrile
sc-230013	2-Bromo-4-methylbenzonitrile
sc-232684	4-Fluoro-2-methylbenzonitrile
sc-275328	2,4-Difluoro-3-methylbenzonitrile

Catalog	Name
RG-A263035-01	2-Methoxy-4-Methylbenzonitrile
OR43646-01	4-Methoxy-2-methylbenzonitrile
426256-01	3-Methoxy-4-methylbenzonitrile
DCA07871-01	4-Methoxy-3-methylbenzonitrile
OR1083106-01	4-hydroxy-2-methoxy-6-methylbenzonitrile
OR1097361-01	2-bromo-5-methoxy-4-methylbenzonitrile
OR1081210-01	5-Chloro-2-methoxy-4-methylbenzonitrile
OR370105	2-Amino-4-methoxy-3-methylbenzonitrile
PC1001733-01	4-Fluoro-2-methoxy-5-methylbenzonitrile
OR1064152	4-Chloro-2-methoxy-5-methylbenzonitrile