AG0028PV

20319-44-2 | 1,3-Benzenedicarboxylic acid, 5-methoxy-, 1,3-dimethyl ester

AG0028PV

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CAS Number	20319-44-2
Catalog Number	AG0028PV(AGN-PC-0L6IL7)
Chemical Name	1,3-Benzenedicarboxylic acid, 5-methoxy-, 1,3-dimethyl ester
IUPAC Name	dimethyl 5-methoxybenzene-1,3-dicarboxylate
InChI	InChI=1S/C11H12O5/c1-14-9-5-7(10(12)15-2)4-8(6-9)11(13)16-3/h4-6H,1-3H3
InChI Key	XZWYGKPSIBDYDY-UHFFFAOYSA-N
MDL Number	MFCD00272337
Molecular Formula	C11H12O5
Molecular Weight	224.2100
SMILES	O=C(OC)C1=CC(OC)=CC(C(OC)=O)=C1
Synonyms	Dimethyl 5-methoxyisophthalate, 20319-44-2, 5-Methoxy-isophthalic acid dimethyl ester, dimethyl-5-methoxyisophthalate, XZWYGKPSIBDYDY-UHFFFAOYSA-N, 1,3-Benzenedicarboxylic acid, 5-methoxy-, dimethyl ester, Dimethyl 5-methoxybenzene-1,3-dicarboxylate, ACMC-1CF1Z, AC1N57KT, Dimethyl5-Methoxyisophthalate, SCHEMBL475746, dimethyl-5-methoxy-isophthalate, 5-Methoxy-dimethyl isophathalate, CTK4E3894, KS-00000BSJ, DTXSID60400183, ZINC403469, 1,3-Benzenedicarboxylic acid, 5-methoxy-, 1,3-dimethyl ester, 6609AJ, Dimethyl 5-methoxyisophthalate, 97%, MFCD00272337, AKOS015894362, CD-1613, MCULE-1849436114, TRA0071980, AJ-22113, AS-31163, BC203020, CJ-03889, SY026137, ZB013241, AB0058319, DB-066130, TC-167141, FT-0768357, methyl 5-methoxy-3-(methoxycarbonyl)benzoate, ST51038515, W-2439, 1,3-dimethyl 5-methoxybenzene-1,3-dicarboxylate, MFCD00272337 (97+%), 319D442, I04-9679, J-013213, 1,3-Benzenedicarboxylic acid, 5-methoxy, dimethyl ester, C11H12O5, CID4167302,

Complexity	239
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	224.068g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	224.212g/mol
Monoisotopic Mass	224.068g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	61.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

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