AG000UB7

13036-02-7 | 1,3-Benzenedicarboxylic acid, 5-hydroxy-, 1,3-dimethyl ester

AG000UB7

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CAS Number	13036-02-7
Catalog Number	AG000UB7(AGN-PC-0JLUA6)
Chemical Name	1,3-Benzenedicarboxylic acid, 5-hydroxy-, 1,3-dimethyl ester
EC Number	235-899-0
IUPAC Name	dimethyl 5-hydroxybenzene-1,3-dicarboxylate
InChI	InChI=1S/C10H10O5/c1-14-9(12)6-3-7(10(13)15-2)5-8(11)4-6/h3-5,11H,1-2H3
InChI Key	DOSDTCPDBPRFHQ-UHFFFAOYSA-N
MDL Number	MFCD00134367
Molecular Formula	C10H10O5
Molecular Weight	210.1834
SMILES	C(=O)(OC)c1cc(C(=O)OC)cc(c1)O
Synonyms	Dimethyl 5-hydroxyisophthalate, 13036-02-7, 5-Hydroxyisophthalic Acid Dimethyl Ester, Dimethyl 5-hydroxybenzene-1,3-dicarboxylate, 1,3-dimethyl 5-hydroxybenzene-1,3-dicarboxylate, 1,3-Benzenedicarboxylic acid, 5-hydroxy-, dimethyl ester, Dimethyl5-hydroxyisophthalate, 1,3-Benzenedicarboxylic acid, 5-hydroxy-, 1,3-dimethyl ester, TIMTEC-BB SBB000491, DOSDTCPDBPRFHQ-UHFFFAOYSA-N, 5-HYDROXY-DIMETHYLISOPHTHALATE, MFCD00134367, DIMETHYL-5-HYDROXY-BENZENE-1,3-DICARBONATE, Dimethyl 5-hydroxyisophthalate, 99%, methyl 5-hydroxy-3-(methoxycarbonyl)benzoate, 5-Hydroxyisophthalic acid, dimethyl ester, EINECS 235-899-0, PubChem10074, ACMC-209bia, AC1L34MN, AC1Q42YA, AC1Q5Z4Q, dimethyl 5-hydroxyisophtalate, dimethyl 5-hydroxyisophthlate, Oprea1_232737, SCHEMBL46504, Dimethyl-5-hydroxyisophthalate, AC1Q433A, dimethyl 5-hydroxy-isophthalate, Dimethyl-5-hydroxy-isophthalate, DTXSID8065329, CTK3J4694, ZINC32327, ATTERCOP-CHM AT116343, HMS1782D08, ANW-19184, CD-893, Dimethyl 5-hydroxyisophthalate, 98%, SBB000491, 5-hydroxyisophthalic acid dimethylester, AKOS001073423, AS01221, CS-W008167, MCULE-5519467331, TRA0061033, VZ31896, KS-000009E3, NCGC00343062-01, 5-Hydroxy-isophthalic acid dimethyl ester, AC-13734, AJ-08547, AK-57368, AS-12454, CJ-00180, ST044489, SY032658, ZB000908, DB-041961, RT-002147, TL8000725, FT-0625067, ST24030374, EN300-17122, MFCD00134367 (98%), W-2046, 3-benzenedicarboxylicacid,5-hydroxy-dimethylester, AB01334951-02, I01-1098, J-200094, Z56886641, dimethyl 5-hydroxybenzene-1,3-dicarboxylate~5-hydroxyisophthalic acid dimethyl ester, InChI=1/C10H10O5/c1-14-9(12)6-3-7(10(13)15-2)5-8(11)4-6/h3-5,11H,1-2H, C10H10O5, CID83065, AR-1I5596, ACN-001516, C10-H10-O5, H1007, Dimethyl 5-hydroxyisophthalate, 98% - 10G 10g, 131319-90-9,

Complexity	226
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	1.3

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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