AG0076KC

39900-63-5 | 2-Hydroxy-5-methoxybenzonitrile

AG0076KC

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CAS Number	39900-63-5
Catalog Number	AG0076KC(AGN-PC-0LW9VQ)
Chemical Name	2-Hydroxy-5-methoxybenzonitrile
IUPAC Name	2-hydroxy-5-methoxybenzonitrile
InChI	InChI=1S/C8H7NO2/c1-11-7-2-3-8(10)6(4-7)5-9/h2-4,10H,1H3
InChI Key	ZFKRGDMEHBTPFN-UHFFFAOYSA-N
MDL Number	MFCD02261935
Molecular Formula	C8H7NO2
Molecular Weight	149.1467
SMILES	N#CC1=CC(OC)=CC=C1O
Synonyms	2-hydroxy-5-methoxybenzonitrile, 39900-63-5, 2-Hydroxy-5-methoxy-benzonitrile, Benzonitrile, 2-hydroxy-5-methoxy-, AC1ODXSC, 2-cyano-4-methoxyphenol, AC1Q4DHG, Maiti-Bera-Modak Auxiliary, KSC494S1N, SCHEMBL1119284, CTK3J4916, DTXSID20427452, ZFKRGDMEHBTPFN-UHFFFAOYSA-N, KS-000010DF, ZINC2581331, CH-873, CL8170, MFCD02261935, 2-hydroxy-5-methoxybenzenecarbonitrile, AKOS006343716, MB02405, MCULE-2927310605, RTC-030388, AJ-43014, AS-45995, CJ-10238, DB-006155, TC-030388, FT-0688366, ST24040680, ST51045380, I01-7599, ZINC02581331, CID7022529, 39835-11-5,

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	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301
Packing Group	Ⅲ
Precautionary statements	P301+P310
UN Code	UN 2811

Certificate of Analysis

Lot Number