4-Methoxy-1-naphthonitrile

CAT: 0024-sc-232808Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-232808Size:5 g

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CAS Number

5961-55-7

Chemical Information

4-Methoxy-1-naphthonitrile

CAS Number	5961-55-7
PubChem CID	80063
IUPAC Name	4-methoxynaphthalene-1-carbonitrile
Molecular Formula	C12H9NO
Molecular Weight	183.21
XLogP	3.3
Topological Polar Surface Area	33
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	14
Formal Charge	0
Complexity	242

SMILES

COC1=CC=C(C2=CC=CC=C21)C#N

InChI

InChI=1S/C12H9NO/c1-14-12-7-6-9(8-13)10-4-2-3-5-11(10)12/h2-7H,1H3

InChIKey

FRCZUGOIGNQOID-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 5961-55-7

CID: 80063

Formula: C12H9NO

MW: 183.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	183.21
XLogP3	3.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	183.068413911
Monoisotopic Mass	183.068413911
Topological Polar Surface Area	33 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	242
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-274953	2-Methoxy-1-naphthonitrile
sc-233607	6-Methoxy-2-naphthonitrile
sc-232807	4-Methoxy-1-naphthol
sc-485760	1-Methoxy-4-methylcyclohexane
sc-226707	4-Methoxy-1-naphthalenemethanol
sc-226706	4-Methoxy-1-naphthaldehyde
sc-229794	1-Methoxy-4-nitronaphthalene
sc-232806	4-Methoxy-1-methylindole
sc-267594	4-Methoxy-1-butanol
sc-356254A	1-Methoxy-4-bromobutane

Catalog	Name
OR96111-01	4-Methoxy-1-naphthonitrile
OR1004055-01	2-Methoxy-1-naphthonitrile
OR26267	6-methoxy-2-naphthonitrile
OR1054694-01	7-Methoxy-2-naphthonitrile
OR1058193-01	4-Acetyl-1-naphthonitrile
OR83928-01	4- (Hydroxymethyl) -1-naphthonitrile
PC2102L	4-Fluoro-1-naphthonitrile
OR75269-01	4-Bromo-1-naphthonitrile
OR49024-01	1-Naphthonitrile
OR1001980-01	8-Bromo-1-naphthonitrile