AG003PLH

5985-24-0 | DIMETHYL 4-HYDROXYISOPHTHALATE

AG003PLH

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CAS Number	5985-24-0
Catalog Number	AG003PLH(AGN-PC-0JLSFJ)
Chemical Name	DIMETHYL 4-HYDROXYISOPHTHALATE
EC Number	227-803-0
IUPAC Name	dimethyl 4-hydroxybenzene-1,3-dicarboxylate
InChI	InChI=1S/C10H10O5/c1-14-9(12)6-3-4-8(11)7(5-6)10(13)15-2/h3-5,11H,1-2H3
InChI Key	ALBUJVBOIXVVLS-UHFFFAOYSA-N
MDL Number	MFCD00152444
Molecular Formula	C10H10O5
Molecular Weight	210.1834
NSC Number	109108
SMILES	C(=O)(OC)c1cc(C(=O)OC)ccc1O
UNII	M57C256V9R
Synonyms	Dimethyl 4-hydroxyisophthalate, 5985-24-0, 4-Hydroxyisophthalic acid dimethyl ester, 4-Hydroxy-isophthalic acid dimethyl ester, 1,3-Benzenedicarboxylic acid, 4-hydroxy-, dimethyl ester, Dimethyl4-hydroxyisophthalate, UNII-M57C256V9R, ALBUJVBOIXVVLS-UHFFFAOYSA-N, M57C256V9R, AK-81941, 1,3-Benzenedicarboxylic acid, 4-hydroxy-, 1,3-dimethyl ester, A1-00601, EINECS 227-803-0, NSC 109108, PubChem17229, ACMC-209mgd, AC1L2YQ1, AC1Q5Z5A, Dimethyl-4-hydroxyisophthalate, SCHEMBL403210, dimethyl 4-hydroxy-isophthalate, DTXSID7064075, 1, 4-hydroxy-, dimethyl ester, CTK5B0596, HMS1756H16, ZINC404023, CS-M1088, ANW-33371, CD-891, MFCD00152444, NSC109108, AKOS001039205, MCULE-3738918351, NSC-109108, TRA0068944, KS-00000G29, 4-Hydroxy isophthalic acid dimethyl ester, AC-13981, AJ-22198, BC206981, DS-16453, HY-76633, SC-71236, ZB013344, AX8125339, DB-007428, dimethyl 4-hydroxybenzene-1,3-dicarboxylate, ST2406811, TC-030562, 4CH-016900, D3562, FT-0600259, X8015, 4-Hydroxy-1,3-benzenedioic acid, dimethyl ester, S01-0295, 4-Hydroxy-1,3-benzenedicarboxylic acid dimethyl ester, Isophthalic acid, 4-hydroxy-, dimethyl ester (8CI), 1,3-Benzenedicarboxylicacid, 4-hydroxy-, 1,3-dimethyl ester, Methyl salicylate Related Compound A, United States Pharmacopeia (USP) Reference Standard, C10H10O5, Isophthalic acid, dimethyl ester, CID80087, AR-1I5564, ACN-001514, C10-H10-O5, Isophthalic acid, 4-hydroxy-, dimethyl ester, 61570-90-9,

Complexity	250
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	210.053g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	210.185g/mol
Monoisotopic Mass	210.053g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	72.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number