AG003FCQ

60835-75-8 | 2,3-(4-Carboxybenzo)-1,4,7,10,13,16-Hexaoxacyclooctadec-2-Ene

AG003FCQ

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CAS Number	60835-75-8
Catalog Number	AG003FCQ(AGN-PC-0SXWIM)
Chemical Name	2,3-(4-Carboxybenzo)-1,4,7,10,13,16-Hexaoxacyclooctadec-2-Ene
IUPAC Name	2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene-20-carboxylic acid
InChI	InChI=1S/C17H24O8/c18-17(19)14-1-2-15-16(13-14)25-12-10-23-8-6-21-4-3-20-5-7-22-9-11-24-15/h1-2,13H,3-12H2,(H,18,19)
InChI Key	GFQYJVLOPVAPGJ-UHFFFAOYSA-N
MDL Number	MFCD00143277
Molecular Formula	C17H24O8
Molecular Weight	356.3677
SMILES	O1CCOCCOCCOCCOCCOC2=C1C=CC(=C2)C(=O)O
Synonyms	60835-75-8, 4'-Carboxybenzo-18-crown-6, 4'-Carboxybenzo-18-crown 6-Ether, 2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecine-18-carboxylic acid, (Benzo-18-crown-6)-4'-carboxylic acid, 2,3,5,6,8,9,11,12,14,15-Decahydrobenzo[b][1,4,7,10,13,16]hexaoxacyclooctadecine-18-carboxylic acid, 2,3-(4-Carboxybenzo)-1,4,7,10,13,16-hexaoxacyclooctadec-2-ene, AC1MC5PH, 4-Carboxybenzo-18-crown-6, MLS001195137, CHEMBL1354221, SCHEMBL12445338, CTK2F7090, DTXSID10369236, GFQYJVLOPVAPGJ-UHFFFAOYSA-N, HMS2868O06, ZINC3896121, 4-Carboxybenzo-18-crown-6, 99%, ANW-43700, MFCD00143277, STL089794, AKOS001586963, MCULE-6356384621, SMR000554467, C1714, FT-0757777, ST50408995, AH-034/32836064, C-56310, SR-01000390274, I04-8444, SR-01000390274-1, 4 inverted exclamation marka-Carboxybenzo-18-crown-6, (Benzo-18-crown-6)-4 inverted exclamation marka-carboxylic acid, 2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene-20-carboxylic acid, 1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16-hexadecahydrobenzo[a][18]annulene-18-ca rboxylic acid, 1,4,7,10,13,16-Benzohexaoxacyclooctadecin-18-carboxylicacid, 2,3,5,6,8,9,11,12,14,15-decahydro-, AJU, 4/'-Carboxybenzo-18-crown 6-Ether, CID2724805, 2,3- -1,4,7,10,13,16-HEXAOXACYCLOOCTADEC-2-ENE, 4'-Carboxybenzo-18-crown-6 (4'-carboxybenzo-1,4,7,10,13,16-hexoxacyclooctadecane), ,7,9,10,12,13,15,16,18,19-Decahydro-5,8,11,14,17,20-hexaoxa-benzocyclooctadecene2-car- boxylic acid, 7,9,10,12,13,15,16,18,19-decahydro-5,8,11,14,17,20-hexaoxa-benzocyclooctadecene2-car- Boxylic Acid,

Complexity	365
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	356.147g/mol
Formal Charge	0
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	356.371g/mol
Monoisotopic Mass	356.147g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	92.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number