AG001VNE

16150-45-1 | 4H-1-Benzopyran-2-carboxylic acid, 5,5'-[(2-hydroxy-1,3-propanediyl)bis(oxy)]bis[4-oxo-, 2,2'-diethyl ester

AG001VNE

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CAS Number	16150-45-1
Catalog Number	AG001VNE(AGN-PC-0JMZV0)
Chemical Name	4H-1-Benzopyran-2-carboxylic acid, 5,5'-[(2-hydroxy-1,3-propanediyl)bis(oxy)]bis[4-oxo-, 2,2'-diethyl ester
EC Number	605-256-2
IUPAC Name	ethyl 5-[3-(2-ethoxycarbonyl-4-oxochromen-5-yl)oxy-2-hydroxypropoxy]-4-oxochromene-2-carboxylate
InChI	InChI=1S/C27H24O11/c1-3-33-26(31)22-11-16(29)24-18(7-5-9-20(24)37-22)35-13-15(28)14-36-19-8-6-10-21-25(19)17(30)12-23(38-21)27(32)34-4-2/h5-12,15,28H,3-4,13-14H2,1-2H3
InChI Key	KRBBSLDXYDBFEC-UHFFFAOYSA-N
MDL Number	MFCD01762791
Molecular Formula	C27H24O11
Molecular Weight	524.4729
SMILES	OC(COC1=CC=CC2=C1C(C=C(C(OCC)=O)O2)=O)COC3=CC=CC4=C3C(C=C(C(OCC)=O)O4)=O
Synonyms	Diethyl cromoglycate, 16150-45-1, Cromophene, Cromoglycic acid diethyl ester, Diethyl 5,5'-((2-hydroxypropane-1,3-diyl)bis(oxy))bis(4-oxo-4H-chromene-2-carboxylate), BRN 1337752, C27H24O11, 4H-1-Benzopyran-2-carboxylic, 5,5'-((2-hydroxytrimethylene)dioxy)bis(4-oxo-, diethyl ester, 4H-1-Benzopyran-2-carboxylic acid, 5,5'-((2-hydroxy-1,3-propanediyl)bis(oxy))bis(4-oxo-, diethyl ester, ethyl 5-[3-(2-ethoxycarbonyl-4-oxochromen-5-yl)oxy-2-hydroxypropoxy]-4-oxochromene-2-carboxylate, 5,5'-(2-Hydroxytrimethylenedioxy)bis(4-oxochromene-2-carboxylic acid) diethyl ester, Diethyl 5,5'-((2-hydroxypropane-1,3-diyl)-bis(oxy))bis(4-oxo-4H-chromene-2-carboxylate), 1,3-bis(2-ethoxycarbonylchromon, Ethyl Cromoglicate, AC1L4CBV, EC 605-256-2, SCHEMBL143979, CTK8B7884, DTXSID20167164, KRBBSLDXYDBFEC-UHFFFAOYSA-N, EBD28516, ZINC3632886, AC-126, ANW-58862, MFCD01762791, AKOS015963154, API0004884, 1,3-bis(2-ethoxycarbonylchromon-5-yloxy)-2-hydroxypropan; Diethyl cromoglycate, 4H-1-Benzopyran-2-carboxylic acid, 5,5'-((2-hydroxy-1,3-propanediyl)bis(oxy))bis(4-oxo) diethyl ester, AN-16127, AS-15223, BC214308, LS-39175, O543, SC-49597, AX8053787, TC-147607, TL8006204, FT-0649063, 150D451, C-28142, ethyl 5-[3-(2-ethoxycarbonyl-4-oxochromen-5-yl)oxy, 1,3-Bis(2-ethoxycarbonylchromon-5-yloxy)-2-hydroxypropan, 5,5'-(2-Hydroxytrimethylenebisoxy)bis(4-oxo-4H-1-benzopyran-2-carboxylic acid ethyl) ester, diethyl 5,5'-(2-hydroxypropane-1,3-diyl)bis(oxy)bis(4-oxo-4H-chromene-2-carboxylate), 4H-1-Benzopyran-2-carboxylic acid, 5,5'-[(2-hydroxy-1,3-propanediyl)bis(oxy)]bis[4-oxo-, 2,2'-diethyl ester, 5,5'-[(2-hydroxytrimethylene)dioxy]bis [4-oxo-4H-1-benzopyran-2-carboxylic acid] diethyl ester, Diethyl 5,5'-[(2-hydroxypropane-1,3-diyl)bis(oxy)]bis(4-oxo-4H-chromene-2-carboxylate), Diethyl cromoglycate, Diethyl 5,5'-[(2-hydroxypropane-1,3-diyl)dioxy]bis(4-oxo-4H-1-benzopyran-2-carboxylate) (Ethyl Cromoglicate), ethyl 5-[3-(2-ethoxycarbonyl-4-oxo-chromen-5-yl)oxy-2-hydroxy-propoxy]-4-oxo-chromene-2-carboxylate, Diethyl bromoglycate, -5-yloxy)-2-hydroxypropan, CID204318, C27-H24-O11,

Complexity	894
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	524.132g/mol
Formal Charge	0
Heavy Atom Count	38
Hydrogen Bond Acceptor Count	11
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	524.478g/mol
Monoisotopic Mass	524.132g/mol
Rotatable Bond Count	12
Topological Polar Surface Area	144A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
UN Code

Certificate of Analysis

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