AG003LHV

4421-08-3 | 4-Hydroxy-3-methoxybenzonitrile

AG003LHV

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CAS Number	4421-08-3
Catalog Number	AG003LHV(AGN-PC-0JLR5S)
Chemical Name	4-Hydroxy-3-methoxybenzonitrile
EC Number	224-589-0
IUPAC Name	4-hydroxy-3-methoxybenzonitrile
InChI	InChI=1S/C8H7NO2/c1-11-8-4-6(5-9)2-3-7(8)10/h2-4,10H,1H3
InChI Key	QJRWLNLUIAJTAD-UHFFFAOYSA-N
MDL Number	MFCD00001820
Molecular Formula	C8H7NO2
Molecular Weight	149.1467
NSC Number	158285
SMILES	N#CC1=CC=C(O)C(OC)=C1
Synonyms	4-Hydroxy-3-methoxybenzonitrile, 4421-08-3, Vanillonitrile, m-Anisonitrile, 4-hydroxy-, 4-hydroxy-3-methoxy-benzonitrile, 3-methoxy-4-hydroxybenzonitrile, QJRWLNLUIAJTAD-UHFFFAOYSA-N, MFCD00001820, 4-hydroxy-3-methoxybenzenecarbonitrile, PubChem13112, 2-methoxy-4-cyanophenol, 4-cyano-2-methoxyphenol, AC1Q4RBZ, 5-cyano-2-hydroxyanisole, 2-methoxy-4-cyano-phenol, 4-Hydroxy-meta-anisonitrile, AC1L2UK7, ACMC-1AF98, SCHEMBL459931, AC1Q46A3, CTK4I8031, 3-Methoxy-4-hydroxy-benzonitrile, DTXSID20196070, ZINC157411, Benzonitrile,4-hydroxy-3-methoxy-, KS-00000W4G, EINECS 224-589-0, ANW-13897, BBL036404, NSC158285, SBB019877, STK346864, AKOS000304372, 4-Hydroxy-3-methoxybenzonitrile, 98%, AS03749, LS11702, MCULE-8231766274, NSC-158285, VZ29176, AJ-15012, AK-32580, AS-15906, CJ-01653, SC-46975, ZB006678, TR-036812, CS-0046224, FT-0618641, ST24043788, ST45142047, M-3215, I01-3628, J-200068, F0001-1204, InChI=1/C8H7NO2/c1-11-8-4-6(5-9)2-3-7(8)10/h2-4,10H,1H, C8H7NO2, Octaziridinocyclotetraphosphazene, Benzonitrile, 4-hydroxy-3-methoxy-, CID78135, AR-1J3863, ACN-050398, R306, H0620, 4-Hydroxy-3-methoxybenzonitrile, 98% - 100G 100g, 4705-04-8,

Complexity	172
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	149.048g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	149.149g/mol
Monoisotopic Mass	149.048g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	53.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302+H312+H332-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P305+P351+P338
Signal Words	warning
UN Code	UN 3439

Certificate of Analysis

Lot Number