AG0003ZS

101219-69-6 | Benzonitrile, 4-[(1R)-1-hydroxyethyl]-

AG0003ZS

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CAS Number	101219-69-6
Catalog Number	AG0003ZS(AGN-PC-0NV5V7)
Chemical Name	Benzonitrile, 4-[(1R)-1-hydroxyethyl]-
IUPAC Name	4-[(1R)-1-hydroxyethyl]benzonitrile
InChI	InChI=1S/C9H9NO/c1-7(11)9-4-2-8(6-10)3-5-9/h2-5,7,11H,1H3/t7-/m1/s1
InChI Key	XGAVOODMMBMCKV-SSDOTTSWSA-N
MDL Number	MFCD08702985
Molecular Formula	C9H9NO
Molecular Weight	147.1739
SMILES	[C@H](C)(O)c1ccc(cc1)C#N
Synonyms	101219-69-6, (R)-4-(1-hydroxyethyl)benzonitrile, 4-[(1R)-1-Hydroxyethyl]benzonitrile, (R)-1-(4-CYANOPHENYL)ETHANOL, Benzonitrile, 4-[(1R)-1-hydroxyethyl]- (9CI), Benzonitrile, 4-[(1R)-1-hydroxyethyl]-, SCHEMBL342986, XGAVOODMMBMCKV-SSDOTTSWSA-N, 0355AA, CI-239, ZINC20030821, AKOS010639690, SB21787, (R)-(+)-1-(4-Isocyanophenyl)ethanol, AJ-75914, SC-50023, AB1006357, FT-0654385, (R)-(+)-4-(1-Hydroxy-ethyl)-benzonitrile, 219C696, 1-(4-Isocyanophenyl)ethanol; (R)-1-(4-Isocyanophenyl)ethano; 4-[(1R)-1 Hydroxyethyl]benzonitrile, C9H9NO, (R)-1-(4-Isocyanophenyl)ethanol, 4-(1-Hydroxyethyl)benzonitrile, CID11105510,

Complexity	162
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
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	1
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	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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