AG001DI7

1459-93-4 | 1,3-Benzenedicarboxylic acid, 1,3-dimethyl ester

AG001DI7

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CAS Number	1459-93-4
Catalog Number	AG001DI7(AGN-PC-04H899)
Chemical Name	1,3-Benzenedicarboxylic acid, 1,3-dimethyl ester
EC Number	215-951-9
IUPAC Name	dimethyl benzene-1,3-dicarboxylate
InChI	InChI=1S/C10H10O4/c1-13-9(11)7-4-3-5-8(6-7)10(12)14-2/h3-6H,1-2H3
InChI Key	VNGOYPQMJFJDLV-UHFFFAOYSA-N
MDL Number	MFCD00008433
Molecular Formula	C10H10O4
Molecular Weight	194.1840
NSC Number	15313
SMILES	O=C(OC)C1=CC=CC(C(OC)=O)=C1
UNII	2UY9Y3574K
Synonyms	DIMETHYL ISOPHTHALATE, 1459-93-4, Dimethyl m-phthalate, Isophthalic acid dimethyl ester, Methyl isophthalate, 1,3-Benzenedicarboxylic acid, dimethyl ester, Morflex 1129, Dimethyl 1,3-benzenedicarboxylate, Dimethylisophthalate, Methyl 3-(carbomethoxy)benzoate, Isophthalic acid, dimethyl ester, Dimethyl benzene-1,3-dicarboxylate, NSC 15313, HSDB 6138, EINECS 215-951-9, UNII-2UY9Y3574K, BRN 1912251, Dimethylester kyseliny isoftalove [Czech], AI3-02247, Dimethylester kyseliny tereftalove, WLN: 1OVR CVO1, 1,3-Benzenedicarboxylic acid, 1,3-dimethyl ester, TimTec1_000710, 1,3-dimethyl benzene-1,3-dicarboxylate, 1,3-Benzenedicarboxylic acid dimethyl ester, VNGOYPQMJFJDLV-UHFFFAOYSA-N, 2UY9Y3574K, 4-09-00-03293 (Beilstein Handbook Reference), NSC15313, MFCD00008433, NCGC00164080-01, NCI60_008161, ST010169, benzene-1,3-dicarboxylic acid dimethyl ester, DSSTox_CID_7402, Dimethyl isophthalate, 99%, DSSTox_RID_78440, DSSTox_GSID_27402, methyl 3-(methoxycarbonyl)benzoate, CAS-1459-93-4, Uniplex 270, Isophthalic acid dimethyl, ACMC-1BTY0, EC 215-951-9, SCHEMBL34953, KSC175E8P, 194239_ALDRICH, AC1L254Q, 1,3-Di(methoxycarbonyl)benzene, Jsp002676, CHEMBL2010300, DTXSID8027402, CTK0H5287, ZINC61511, HMS1536A06, Isophthalic acid, bis-methyl ester, KS-00000UU0, Tox21_201345, Tox21_303209, ANW-20979, NSC-15313, SBB060563, STK431255, ZINC00061511, AKOS003306018, MCULE-3230324954, NE10579, RTR-005766, TRA0068118, NCGC00164080-02, NCGC00164080-03, NCGC00257185-01, NCGC00258897-01, AC-19625, AJ-09930, AN-49244, Dimethyl isophthalate, analytical standard, LS-85240, O781, ZB002436, AB1003631, ST2419253, TR-005766, Dimethyl isophthalate, ReagentPlus(R), 99%, FT-0627451, I0157, ISOPHTHALIC ACID DIMETHYL ESTER (D6), EN300-83819, Dimethyl isophthalate, purum, >=98.0% (GC), 1,3-BENZENEDICARBOXYLIC ACID,DIMETHYL ESTER, I01-0625, J-008179, BRD-K66232078-001-01-0, Dimethyl isophthalate, Vetec(TM) reagent grade, 98%, F0001-0520, Dimethyl isophthalate, TraceCERT(R), certified reference material, Benzene-1,3-dicarboxylic acid dimethyl ester; Isophthalic acid dimethyl ester, InChI=1/C10H10O4/c1-13-9(11)7-4-3-5-8(6-7)10(12)14-2/h3-6H,1-2H, 1, dimethyl ester, Diphenyl isophthalate, DMIP, AMCA-X, Dimethylester kyseliny isoftalove, C10H10O4, C20H14O4, CID15088, c1267, C10-H10-O4, Dimethyl isophthalate, 99% - 100G 100g, 744-45-6, 205124-69-2,

Complexity	202
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	194.058g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	194.186g/mol
Monoisotopic Mass	194.058g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	52.6A^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-P301+P312-P302+P352-P304+P340-P305+P351+P338
UN Code

Certificate of Analysis

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