AG003LM4

5961-55-7 | 4-Methoxy-1-naphthonitrile

AG003LM4

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CAS Number	5961-55-7
Catalog Number	AG003LM4(AGN-PC-0JLSEY)
Chemical Name	4-Methoxy-1-naphthonitrile
EC Number	227-734-6
IUPAC Name	4-methoxynaphthalene-1-carbonitrile
InChI	InChI=1S/C12H9NO/c1-14-12-7-6-9(8-13)10-4-2-3-5-11(10)12/h2-7H,1H3
InChI Key	FRCZUGOIGNQOID-UHFFFAOYSA-N
MDL Number	MFCD00003925
Molecular Formula	C12H9NO
Molecular Weight	183.2060
SMILES	N#CC1=C2C=CC=CC2=C(OC)C=C1
Synonyms	4-Methoxy-1-naphthonitrile, 5961-55-7, 1-Cyano-4-methoxynaphthalene, 4-methoxynaphthalene-1-carbonitrile, 1-Naphthalenecarbonitrile, 4-methoxy-, CHEMBL44551, FRCZUGOIGNQOID-UHFFFAOYSA-N, 4-methoxynaphthalenecarbonitrile, EINECS 227-734-6, ACMC-1AYAU, AC1Q4RPF, 1-methoxy-4-naphthonitrile, AC1L2YO7, SCHEMBL589078, 1-Naphthonitrile, 4-methoxy-, CTK5B0205, DTXSID20208288, ZINC388334, 4-Methoxy-1-naphthonitrile, 99%, 4-Methoxy-1-naphthalenecarbonitrile, 1-Naphthalenecarbonitrile,4-methoxy-, 4-Methoxy-naphthalene-1-carbonitrile, BDBM50220676, MFCD00003925, SBB057206, AKOS017269690, MCULE-9466841404, TN-0006, VZ29299, KS-0000194N, NS-01624, ZB011446, DB-053427, CS-0063876, FT-0607661, ST50406585, S14-1102, C12-H9-N-O, CID80063, AR-1G3041, ZINC00388334, 61293-63-8,

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	3.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302+H312+H332
Packing Group
Precautionary statements	P280
UN Code	\N

Certificate of Analysis

Lot Number