AG003IOK

4198-90-7 | 4-Hydroxy-3,5-dimethylbenzonitrile

AG003IOK

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CAS Number	4198-90-7
Catalog Number	AG003IOK(AGN-PC-0WAAGZ)
Chemical Name	4-Hydroxy-3,5-dimethylbenzonitrile
EC Number	452-810-2
IUPAC Name	4-hydroxy-3,5-dimethylbenzonitrile
InChI	InChI=1S/C9H9NO/c1-6-3-8(5-10)4-7(2)9(6)11/h3-4,11H,1-2H3
InChI Key	WFYGXOWFEIOHCZ-UHFFFAOYSA-N
MDL Number	MFCD00221716
Molecular Formula	C9H9NO
Molecular Weight	147.1739
SMILES	C1=C(C(=C(C=C1C#N)C)O)C
Synonyms	4-Hydroxy-3,5-dimethylbenzonitrile, 4198-90-7, 3,5-Dimethyl-4-hydroxybenzonitrile, 4-Cyano-2,6-dimethylphenol, 2,6-Dimethyl-4-cyanophenol, 4-Hydroxy-3,5-DiMethyl-Benzonitrile, 3,5-dimethyl-4-hydroxy benzonitrile, BRN 2574734, BENZONITRILE, 3,5-DIMETHYL-4-HYDROXY-, MFCD00221716, 3,5-Dimethyl-4-hydroxybenzonitrile, 97%, 4-hydroxy-3,5-dimethylbenzenecarbonitrile, PubChem11065, ACMC-209jmm, AC1L2FP8, AC1Q2GX3, KSC236A8T, SCHEMBL197918, CTK1D6089, DTXSID00194791, WFYGXOWFEIOHCZ-UHFFFAOYSA-N, ZINC162656, ACT12497, ALBB-016105, 3,5,-dimethyl-4-hydroxybenzonitrile, 3,5-Dimethyl 4-hydroxy benzonitrile, 3,5-dimethyl-4-hydroxy-benzonitrile, 4-hydroxy-3,5-dimethyl benzonitrile, ANW-29708, CH-094, SBB005819, 4-hydroxy 3, 5-dimethyl benzonitrile, AKOS005256952, AC-8502, AN-7939, CS-W020066, DS-0804, FR-2364, MCULE-8888349386, PB30622, PS-4473, RP17348, RTR-016511, SB10009, TRA0087558, KS-000002R7, AC-19781, AJ-15936, AK-32495, BP-10033, BR-32495, LS-38702, S103, ST092336, SY018922, ZB007869, 4-Hydroxy-3,5-dimethylbenzonitrile, 98%, AB0018485, AB1004209, DB-028298, ST2411454, TR-016511, AM20060814, D2790, FT-0081732, FT-0610687, FT-0614672, TL80073506, EN300-91953, C-8863, 21555-EP2305660A1, 21555-EP2314295A1, MFCD00221716 (97+%), 876H153, I01-0290, J-515484, C9H9NO, C9-H9-N-O, 3,5 Dimethyl-4-hydroxybenzonitrile, CID20176, CS-M-47149, A6884, 4-10-00-00681 (Beilstein Handbook Reference), BENZONITRILE, 4-HYDROXY-3,5-DIMETHYL-, EC 452-810-2, 876-15-3, 695-53-4,

Complexity	169
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	147.068g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	147.177g/mol
Monoisotopic Mass	147.068g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	44A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H317-H319
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

Lot Number