AG00ALZU

193290-27-6 | 2-(3-CYANO-PHENYL)ETHANOL

AG00ALZU

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CAS Number	193290-27-6
Catalog Number	AG00ALZU(AGN-PC-0030Y1)
Chemical Name	2-(3-CYANO-PHENYL)ETHANOL
IUPAC Name	3-(2-hydroxyethyl)benzonitrile
InChI	InChI=1S/C9H9NO/c10-7-9-3-1-2-8(6-9)4-5-11/h1-3,6,11H,4-5H2
InChI Key	SDFBOAJVHGKEAO-UHFFFAOYSA-N
MDL Number	MFCD10001394
Molecular Formula	C9H9NO
Molecular Weight	147.1739
SMILES	OCCC1=CC=CC(=C1)C#N
Synonyms	3-(2-Hydroxyethyl)benzonitrile, 193290-27-6, 2-(3-CYANO-PHENYL)ETHANOL, Benzonitrile, 3-(2-hydroxyethyl)-, 2-(3-cyanophenyl)ethanol, SCHEMBL320197, CTK4E1214, KS-00000MEZ, DTXSID70565555, SDFBOAJVHGKEAO-UHFFFAOYSA-N, 3-(2-hydroxy-ethyl)-benzonitrile, Benzonitrile,3-(2-hydroxyethyl)-, 0016AB, ANW-56823, MFCD10001394, ZINC34410525, AKOS006304513, AB56090, CS-W023073, DS-3462, AJ-88376, AK100051, AM803443, DB-065815, TC-145568, FT-0767501, I14-35817, C9H9NO,

Complexity	158
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	2
Topological Polar Surface Area	44A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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