AG003MUG

46331-50-4 | 5-Methoxyisophthalic acid

AG003MUG

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CAS Number	46331-50-4
Catalog Number	AG003MUG(AGN-PC-0JM5FN)
Chemical Name	5-Methoxyisophthalic acid
IUPAC Name	5-methoxybenzene-1,3-dicarboxylic acid
InChI	InChI=1S/C9H8O5/c1-14-7-3-5(8(10)11)2-6(4-7)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13)
InChI Key	POSMIIJADZKUPL-UHFFFAOYSA-N
MDL Number	MFCD00272364
Molecular Formula	C9H8O5
Molecular Weight	196.1568
NSC Number	302547
SMILES	COC1=CC(=CC(=C1)C(O)=O)C(O)=O
Synonyms	5-methoxybenzene-1,3-dicarboxylic acid, 5-Methoxyisophthalic acid, 46331-50-4, 5-methoxybenzene-1,3-dicarboxylic acid, 5-Methoxy-1,3 dicarboxylic acid, AK-79132, 1,3-Benzenedicarboxylic acid, 5-methoxy-, 5-METHOXYISOPHTHALICACID, NSC302547, PubChem13679, 5-methoxy-isophthalic acid, ACMC-209k6o, SCHEMBL39734, AC1L70H5, 5-Methoxyisophthalic acid, 97%, CTK1D7539, DTXSID30316348, POSMIIJADZKUPL-UHFFFAOYSA-N, KS-00000N4I, ZINC5018347, ZX-AT018635, 6362AB, AM1015, ANW-30430, CM-231, MFCD00272364, OR4820, SBB064187, AKOS015889999, FCH1113435, GS-5656, NSC-302547, TRA0075791, VZ30442, ACM46331504, 1,3-Benzenedicarboxylicacid, 5-methoxy-, AC-10497, AJ-52949, BC200859, CC-21967, SC-52121, SY039780, AB0098879, AX8007648, DB-051372, ST2406304, TC-119175, TL8003204, 4CH-018884, FT-0639854, M1835, MFCD00272364 (97%), W-3497, A827029, C-08917, I04-1394, 1WB, 5-Methoxyisophathalic acid, 5-Methoxy-isophathalic acid, C9H8O5, 5-Methoxy-1,3-dicarboxylic acid, CID327428, ACN-050305, 5-Methoxy-1,3-benzenedicarboxylic acid, 5-Methoxyisophthalic acid, 98% - 1G 1g, 90560-22-8,

Complexity	215
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	196.037g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	196.158g/mol
Monoisotopic Mass	196.037g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	83.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

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

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