AG003H46

67886-70-8 | 6-Methoxy-2-naphthonitrile

AG003H46

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CAS Number	67886-70-8
Catalog Number	AG003H46(AGN-PC-0JMJG3)
Chemical Name	6-Methoxy-2-naphthonitrile
IUPAC Name	6-methoxynaphthalene-2-carbonitrile
InChI	InChI=1S/C12H9NO/c1-14-12-5-4-10-6-9(8-13)2-3-11(10)7-12/h2-7H,1H3
InChI Key	SWEFYGCKCMJSPD-UHFFFAOYSA-N
MDL Number	MFCD00009692
Molecular Formula	C12H9NO
Molecular Weight	183.2060
NSC Number	408778
SMILES	COC1=CC2=C(C=C(C=C2)C#N)C=C1
Synonyms	6-Methoxy-2-naphthonitrile, 67886-70-8, 2-Cyano-6-methoxynaphthalene, 6-Methoxy-2-cyanonaphthalene, 6-methoxynaphthalene-2-carbonitrile, 6-Methoxy-2-Naphthalenecarbonitrile, 6-methoxy-naphthalene-2-carbonitrile, SWEFYGCKCMJSPD-UHFFFAOYSA-N, 6-Methoxy-2-naphthonitrile, 98%, NSC408778, ACMC-20anxg, AC1L8AQX, 2-Cyan-6-methoxy-naphthalin, SCHEMBL906936, 2-Naphthonitrile, 6-methoxy-, CTK5C6850, DTXSID10325130, ZINC155227, 2-Naphthalenecarbonitrile,6-methoxy-, 7987AE, MFCD00009692, 2-Naphthalenecarbonitrile, 6-methoxy-, AKOS009158952, MCULE-9262966188, NSC-408778, ZB005986, DB-055079, TR-022762, FT-0641152, ST50997603, EN300-73869, A19055, Y-8787, AE-562/43459264, I14-26391, Z1272730903, C12H9NO, CID349173,

Complexity	242
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	183.068g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	183.21g/mol
Monoisotopic Mass	183.068g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	33A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302+H312+H332-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number