AG00EL7D

5870-38-2 | 1,4-Benzenedicarboxylicacid, 2,5-dihydroxy-, 1,4-diethyl ester

AG00EL7D

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CAS Number	5870-38-2
Catalog Number	AG00EL7D(AGN-PC-0JLSD0)
Chemical Name	1,4-Benzenedicarboxylicacid, 2,5-dihydroxy-, 1,4-diethyl ester
EC Number	227-522-3
IUPAC Name	diethyl 2,5-dihydroxybenzene-1,4-dicarboxylate
InChI	InChI=1S/C12H14O6/c1-3-17-11(15)7-5-10(14)8(6-9(7)13)12(16)18-4-2/h5-6,13-14H,3-4H2,1-2H3
InChI Key	UQOUOXLHXPHDHF-UHFFFAOYSA-N
MDL Number	MFCD00055430
Molecular Formula	C12H14O6
Molecular Weight	254.2360
NSC Number	177975
SMILES	CCOC(=O)c1cc(O)c(cc1O)C(=O)OCC
Synonyms	Diethyl 2,5-dihydroxyterephthalate, 5870-38-2, 1,4-Benzenedicarboxylic acid, 2,5-dihydroxy-, diethyl ester, 2,5-Dihydroxyterephthalic acid diethyl ester, 1,4-Benzenedicarboxylic acid, 2,5-dihydroxy-, 1,4-diethyl ester, UQOUOXLHXPHDHF-UHFFFAOYSA-N, diethyl-2,5-dihydroxyterephthalate, Terephthalic acid, 2,5-dihydroxy-, diethyl ester, diethyl 2,5-dihydroxybenzene-1,4-dicarboxylate, EINECS 227-522-3, NSC 177975, AC1L2YHU, ChemDiv2_000191, AC1Q64GU, Oprea1_230468, SCHEMBL322149, DTXSID5064045, CTK5A8729, HMS1369I15, ZINC226153, 1, 2,5-dihydroxy-, diethyl ester, MFCD00055430, NSC177975, AKOS001483390, CCG-103203, MCULE-7102050358, NSC-177975, AK315060, Diethyl 2,5-dihydroxyterephthalate, 97%, SY076328, EU-0033516, FT-0610387, TL80090757, 2,5-dihydroxy terephthalic acid diethyl ester, 2,5-dihydroxy-terephthalic acid diethyl ester, MFCD00055430 (97%), Terephthalic acid,5-dihydroxy-, diethyl ester, AF-602/00253040, SR-01000389609, SR-01000389609-1, I01-19800, 2,5-Dihydroxy-1,4-benzenedicarboxylic acid diethyl ester, 1,4-Benzenedicarboxylicacid, 2,5-dihydroxy-, 1,4-diethyl ester, InChI=1/C12H14O6/c1-3-17-11(15)7-5-10(14)8(6-9(7)13)12(16)18-4-2/h5-6,13-14H,3-4H2,1-2H, CID79980, AR-1I4405, ACN-029535, C12-H14-O6, DIETHYL2,5-DIHYDROXYTEREPHTHALATE, Diethyl 2,5-dihydroxyterephthalate, 97% - 1G 1g, (S)-(-)-2-(3,5-Di-tert-butylsalicylideneamino)-3,3-dimethyl-1-butanol, 174022-08-3, 6041-29-8,

Complexity	273
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	254.079g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	254.238g/mol
Monoisotopic Mass	254.079g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	93.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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