AG003JJP

52805-46-6 | 3-Hydroxy-4-methoxybenzonitrile

AG003JJP

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CAS Number	52805-46-6
Catalog Number	AG003JJP(AGN-PC-0LJALP)
Chemical Name	3-Hydroxy-4-methoxybenzonitrile
EC Number	689-783-3
IUPAC Name	3-hydroxy-4-methoxybenzonitrile
InChI	InChI=1S/C8H7NO2/c1-11-8-3-2-6(5-9)4-7(8)10/h2-4,10H,1H3
InChI Key	ASQHIJLQYYFUDN-UHFFFAOYSA-N
MDL Number	MFCD00043574
Molecular Formula	C8H7NO2
Molecular Weight	149.1467
SMILES	OC1=C(C=CC(=C1)C#N)OC
Synonyms	3-hydroxy-4-methoxybenzonitrile, 52805-46-6, BENZONITRILE, 3-HYDROXY-4-METHOXY-, ASQHIJLQYYFUDN-UHFFFAOYSA-N, 3-HYDROXY-4-METHOXYBENZONITRIL, 3-hydroxy-4-methoxybenzenecarbonitrile, p-Cyanguajacol, ZERO/005397, PubChem4806, ISOVANILLONITRILE, ACMC-1AZ4G, AC1NKG41, SCHEMBL388024, CTK3J4968, TIMTEC-BB SBB013384, 3-hydroxy-4-methoxy benzonitrile, 3-hydroxy-4-methoxy-benzonitrile, DTXSID00406725, ACN-S003460, BCP26348, KS-00000EE5, ZINC2579271, ANW-31554, CH-521, MFCD02258854, SBB013384, STK781904, AKOS005256178, AC-5294, AS02385, CS-W002933, LS11706, MB02393, MCULE-2590073767, RTR-018709, OTAVA-BB 7020680686, TRA-0176906, AJ-42827, AK-39764, AN-11117, AS-15904, BC210628, BR-39764, CJ-10188, SC-05071, SY005357, AB0018098, DB-010059, ST2410726, ST4119489, TL8003473, TR-018709, AM20050110, FT-0602138, A-3180, MFCD02258854 (97+%), 805H466, Gefitinib Impurity, C8H7NO2, ACN-032363, CID4912822, R303, A7711, 3-Hydroxy-4-methoxybenzonitrile, 97% - 1G 1g,

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	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

Lot Number