AG00DOAC

52067-35-3 | Benzonitrile, 4-(1-hydroxyethyl)- (9CI)

AG00DOAC

SDS

COA

Price

$0.00

Add to Cart

Buy Now

WARNING This product is not for human or veterinary use.

CAS Number	52067-35-3
Catalog Number	AG00DOAC(AGN-PC-00FS2I)
Chemical Name	Benzonitrile, 4-(1-hydroxyethyl)- (9CI)
IUPAC Name	4-(1-hydroxyethyl)benzonitrile
InChI	InChI=1S/C9H9NO/c1-7(11)9-4-2-8(6-10)3-5-9/h2-5,7,11H,1H3
InChI Key	XGAVOODMMBMCKV-UHFFFAOYSA-N
MDL Number	MFCD00870635
Molecular Formula	C9H9NO
Molecular Weight	147.1739
SMILES	OC(C)C1=CC=C(C#N)C=C1
Synonyms	4-(1-Hydroxyethyl)benzonitrile, 52067-35-3, Benzonitrile, 4-(1-hydroxyethyl)- (9CI), XGAVOODMMBMCKV-UHFFFAOYSA-N, Benzonitrile, 4-(1-hydroxyethyl)-, AC1LBIJ1, 1-(4-Cyanophenyl)ethanol, SCHEMBL320277, CTK1G8276, DTXSID00342614, 4-(1-Hydroxyethyl)benzonitrile #, AKOS000249638, AKOS016904239, MCULE-5162866093, NE35894, AN-34201, DA-05247, FT-0724296, Z1333043407, (R)-4-(1-hydroxyethyl)benzonitrile, 4-[(1R)-1-Hydroxyethyl]benzonitrile, (S)-4-(1-hydroxyethyl)benzonitrile, CID583335, 4-[(1S)-1-Hydroxyethyl]benzonitrile, (R)-1-(4-CYANOPHENYL)ETHANOL, A16260, 101219-69-6, 101219-71-0,

Complexity	162
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	1
Topological Polar Surface Area	44A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

Lot Number