AG008LWZ

79558-09-1 | Aceticacid, 2-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy]-

AG008LWZ

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CAS Number	79558-09-1
Catalog Number	AG008LWZ(AGN-PC-0UEQ7S)
Chemical Name	Aceticacid, 2-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy]-
IUPAC Name	2-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy]acetic acid
InChI	InChI=1S/C22H26O7/c1-3-5-19-20(11-10-18(15(2)23)22(19)26)28-13-4-12-27-16-6-8-17(9-7-16)29-14-21(24)25/h6-11,26H,3-5,12-14H2,1-2H3,(H,24,25)
InChI Key	HBBVCKCCQCQCTJ-UHFFFAOYSA-N
MDL Number	MFCD04974501
Molecular Formula	C22H26O7
Molecular Weight	402.4376
SMILES	CC(C1=CC=C(OCCCOC2=CC=C(OCC(O)=O)C=C2)C(CCC)=C1O)=O
Synonyms	4-(3-(2-propyl-3-hydroxy-4-acetyl)phenoxy)propyloxyphenoxy acetic acid, L 165041, L-165041, 79558-09-1, L-165041, L-165,041, 2-(4-(3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy)phenoxy)acetic acid, L165041, L 165041, 2-(4-(3-(4-Acetyl-3-hydroxy-2-propylphenoxy)-propoxy)phenoxy)acetic acid, CHEMBL153057, {4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acid, 4-[3-(2-Propyl-3-hydroxy-4-acetyl)phenoxy]propyloxyphenoxy-acetic acid, 4-[3-(4-Acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy-acetic acid, 4-[3-(4-Acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxyacetic acid, 2-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy]acetic acid, Aceticacid, 2-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy]-, SR-01000075922, HBBVCKCCQCQCTJ-UHFFFAOYSA-N, NCGC00015599-01, PubChem19280, Lopac-L-2167, 4-(3-(2-propyl-3-hydroxy-4-acetyl)phenoxy)propyloxyphenoxy acetic acid, AC1O7G4G, DSSTox_CID_20745, DSSTox_RID_79585, DSSTox_GSID_40745, Lopac0_000617, MLS002172459, GTPL2691, QCR-75, SCHEMBL2067483, DTXSID6040745, CHEBI:94812, CTK2I0986, KS-00001DHR, AOB6776, HMS2234I08, HMS3261L16, HMS3369O13, BCP06752, ZINC2541693, Tox21_302413, Tox21_500617, [4-[3-(4-Acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy]aceticacid, ANW-63151, BDBM50085041, BS0108, IN1279, MFCD04974501, AKOS016004395, API0008434, CCG-204706, CS-0826, DB08078, LP00617, NCGC00015599-02, NCGC00015599-03, NCGC00015599-04, NCGC00015599-05, NCGC00093991-01, NCGC00093991-02, NCGC00093991-03, NCGC00255669-01, NCGC00261302-01, AJ-39208, HY-20019, SC-97563, SMR001254092, AB0033317, AX8135668, CAS-79558-09-1, TC-151896, EU-0100617, X6845, EC-000.2412, A11983, L 2167, L-165,041, >=98% (HPLC), powder, S-7789, SR-01000075922-1, SR-01000075922-4, {4-[3-(4-Acetyl-3-hydroxy-2-propyl-phenoxy)-propoxy]-phenoxy}-acetic acid(L-165041), L41, Compound P, D0YK9T, C22H26O7, CID6603901, A3536, C520164,

Complexity	501
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	402.168g/mol
Formal Charge	0
Heavy Atom Count	29
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	402.443g/mol
Monoisotopic Mass	402.168g/mol
Rotatable Bond Count	12
Topological Polar Surface Area	102A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number