AG003BZI

56683-55-7 | (Benzo-15-Crown 5-Ether)-4-Carboxylic Acid

AG003BZI

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CAS Number	56683-55-7
Catalog Number	AG003BZI(AGN-PC-0SM5XH)
Chemical Name	(Benzo-15-Crown 5-Ether)-4-Carboxylic Acid
IUPAC Name	2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene-17-carboxylic acid
InChI	InChI=1S/C15H20O7/c16-15(17)12-1-2-13-14(11-12)22-10-8-20-6-4-18-3-5-19-7-9-21-13/h1-2,11H,3-10H2,(H,16,17)
InChI Key	FBNLTQGIRRAGRY-UHFFFAOYSA-N
MDL Number	MFCD00143276
Molecular Formula	C15H20O7
Molecular Weight	312.3151
SMILES	O=C(C1=CC=C(OCCOCCOCCOCCO2)C2=C1)O
Synonyms	56683-55-7, 4'-Carboxybenzo-15-crown 5-Ether, 4'-Carboxybenzo-15-crown-5, (Benzo-15-crown 5-Ether)-4'-carboxylic Acid, 2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecine-15-carboxylic acid, 2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene-17-carboxylic acid, 2,3,5,6,8,9,11,12-Octahydrobenzo[b][1,4,7,10,13]pentaoxacyclopentadecine-15-carboxylic acid, AC1MC5P2, SCHEMBL10031399, CTK8B4019, FBNLTQGIRRAGRY-UHFFFAOYSA-N, ZINC3896120, ANW-43699, MFCD00143276, STL089795, AKOS001586943, MCULE-7203982398, NCGC00325799-01, 6,7,9,10,12,13,15,16-Octahydro-5,8,11,14,17-pentaoxa-benzocyclopentadecene-2-carboxylic acid, ST023622, 4'-Carboxybenzo-15-crown-5, >=98.0%, C1713, EU-0066924, 3,4-[Oxybis(ethyleneoxyethyleneoxy)]benzoic acid, AB01320484-02, AE-641/01666044, SR-01000390273, SR-01000390273-1, 4 inverted exclamation marka-Carboxybenzo-15-crown-5, (Benzo-15-crown-5)-4 inverted exclamation marka-carboxylic acid, 2,3-(4-Carboxybenzo)-1,4,7,10,13-pentaoxacyclopentadec-2-ene, 1,2,3,4,5,6,7,8,9,10,11,12,13-tridecahydrobenzo[a][15]annulene-15-carboxylic a cid, 556683-55-7, 4-Carboxybenzo-15-crown-5, 4/'-Carboxybenzo-15-crown 5-Ether, CID2724800, 4'-Carboxybenzo-15-crown 5-Ether, 97% - 1G 1g,

Complexity	323
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	312.121g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	312.318g/mol
Monoisotopic Mass	312.121g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	83.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number