AG004WRR

83101-12-6 | 4-(3-HYDROXY-PROPYL)-BENZONITRILE

AG004WRR

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CAS Number	83101-12-6
Catalog Number	AG004WRR(AGN-PC-0NFMCK)
Chemical Name	4-(3-HYDROXY-PROPYL)-BENZONITRILE
IUPAC Name	4-(3-hydroxypropyl)benzonitrile
InChI	InChI=1S/C10H11NO/c11-8-10-5-3-9(4-6-10)2-1-7-12/h3-6,12H,1-2,7H2
InChI Key	DLSYBKFKTWXZMU-UHFFFAOYSA-N
MDL Number	MFCD09028771
Molecular Formula	C10H11NO
Molecular Weight	161.2004
SMILES	OCCCC1=CC=C(C=C1)C#N
Synonyms	4-(3-hydroxypropyl)benzonitrile, 83101-12-6, 4-(3-HYDROXY-PROPYL)-BENZONITRILE, AK-48988, 3-(4-cyanophenyl)propanol, SCHEMBL81846, 4-(3hydroxypropyl)benzonitrile, 3-(4-cyanophenyl)-1-propanol, CTK5F0387, DTXSID60454565, DLSYBKFKTWXZMU-UHFFFAOYSA-N, Benzonitrile,4-(3-hydroxypropyl)-, KS-00000OS2, ANW-69068, FCH863788, MFCD09028771, ZINC38220366, AKOS005217797, CS-W021991, AJ-94684, CJ-19169, DS-14851, AB0066674, AX8212932, DB-075898, TC-064400, 4CH-003516, FT-0699416, ST24023142, Z5162, EN300-137482, M-9819, 4- -BENZONITRILE, C10H11NO, ACN-044506, CID11084178, A10071,

Complexity	162
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	161.084g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	161.204g/mol
Monoisotopic Mass	161.084g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	44A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H227-H302+H312+H332-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number