AG003N1O

312694-02-3 | 6-[2-Propyl-4-(4-Pyridylazo)Phenoxy]Hexanoic Acid

AG003N1O

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CAS Number	312694-02-3
Catalog Number	AG003N1O(AGN-PC-0R6KQI)
Chemical Name	6-[2-Propyl-4-(4-Pyridylazo)Phenoxy]Hexanoic Acid
IUPAC Name	6-[2-propyl-4-(pyridin-4-yldiazenyl)phenoxy]hexanoic acid
InChI	InChI=1S/C20H25N3O3/c1-2-6-16-15-18(23-22-17-10-12-21-13-11-17)8-9-19(16)26-14-5-3-4-7-20(24)25/h8-13,15H,2-7,14H2,1H3,(H,24,25)
InChI Key	RKSDFQDWVOJLAU-UHFFFAOYSA-N
MDL Number	MFCD09038540
Molecular Formula	C20H25N3O3
Molecular Weight	355.4308
SMILES	CCCC1=C(C=CC(/N=N/C2=CC=NC=C2)=C1)OCCCCCC(O)=O
Synonyms	6-[2-Propyl-4-(4-pyridylazo)phenoxy]hexanoic Acid, 312694-02-3, ACMC-1AGQY, CTK3C5716, ANW-27068, MFCD09038540, ZINC44069441, ACM312694023, TC-115813, P1436, 6-[2-propyl-4-(4-pyridyl-azo)phenoxy]hexanoic acid, Hexanoic acid, 6-[2-propyl-4-(4-pyridinylazo)phenoxy]-, 870818-82-9, 6-[2-PROPYL-4- PHENOXY]HEXANOICACID,

Complexity	425
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	355.19g/mol
Formal Charge	0
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	355.438g/mol
Monoisotopic Mass	355.19g/mol
Rotatable Bond Count	11
Topological Polar Surface Area	84.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
UN Code

Certificate of Analysis

Lot Number