AG002DO9

189439-24-5 | Benzonitrile, 2-hydroxy-4-(phenylmethoxy)-

AG002DO9

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CAS Number	189439-24-5
Catalog Number	AG002DO9(AGN-PC-00PA7B)
Chemical Name	Benzonitrile, 2-hydroxy-4-(phenylmethoxy)-
IUPAC Name	2-hydroxy-4-phenylmethoxybenzonitrile
InChI	InChI=1S/C14H11NO2/c15-9-12-6-7-13(8-14(12)16)17-10-11-4-2-1-3-5-11/h1-8,16H,10H2
InChI Key	SZVJDJBGNPQFKF-UHFFFAOYSA-N
MDL Number	MFCD20534926
Molecular Formula	C14H11NO2
Molecular Weight	225.2426
SMILES	O(Cc1ccccc1)c1cc(O)c(cc1)C#N
Synonyms	4-(benzyloxy)-2-hydroxybenzonitrile, 189439-24-5, 2-hydroxy-4-phenylmethoxybenzonitrile, Benzonitrile, 2-hydroxy-4-(phenylmethoxy)-, SCHEMBL4260225, CTK0E1762, 4-benzyloxy-2-hydroxybenzonitrile, DTXSID00572919, SZVJDJBGNPQFKF-UHFFFAOYSA-N, MFCD20534926, ZINC34559187, 2-Hydroxy-4-(phenylmethoxy)benzonitrile, AK540754, DS-19113, FT-0727286, ACN-053006,

Complexity	277
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	225.079g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	225.247g/mol
Monoisotopic Mass	225.079g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	53.2A^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-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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