AG003MW8

499-49-0 | 5-Methylisophthalic acid

AG003MW8

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CAS Number	499-49-0
Catalog Number	AG003MW8(AGN-PC-0JL8A0)
Chemical Name	5-Methylisophthalic acid
EC Number	207-881-2
IUPAC Name	5-methylbenzene-1,3-dicarboxylic acid
InChI	InChI=1S/C9H8O4/c1-5-2-6(8(10)11)4-7(3-5)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13)
InChI Key	PMZBHPUNQNKBOA-UHFFFAOYSA-N
MDL Number	MFCD00013986
Molecular Formula	C9H8O4
Molecular Weight	180.1574
NSC Number	41436
SMILES	C1=C(C=C(C)C=C1C(O)=O)C(O)=O
Synonyms	5-Methylisophthalic acid, 499-49-0, UVITIC ACID, 5-methylbenzene-1,3-dicarboxylic acid, 5-Methyl-1,3-benzenedicarboxylic acid, Isophthalic acid, 5-methyl-, 1,3-Benzenedicarboxylic acid, 5-methyl-, PMZBHPUNQNKBOA-UHFFFAOYSA-N, MFCD00013986, Uvitinsaure, EINECS 207-881-2, 3,5-Dicarboxytoluene, 5-MethylisophthalicAcid, AC1Q5TMY, ACMC-209kj2, SCHEMBL40661, KSC237E4T, toluene-3,5-dicarboxylic acid, 5-Methylisophthalic acid, 97%, CTK1D7249, KS-00000CGY, DTXSID50198143, AC1L2941, NSC41436, ZINC1672687, ANW-30876, BBL101990, CM-195, NSC-41436, SBB008429, STL555787, AKOS015891094, CS-W016008, FR-2039, MCULE-1116314925, PS-3522, RTR-033584, TRA0127676, VZ30493, 1,3-Benzenedicarboxylicacid, 5-methyl-, AJ-29257, AK-73016, AN-25563, BR-73016, SC-27236, SY005375, AB0008661, AB1003131, DB-051706, ST2412102, TR-033584, AM20060639, FT-0620641, M1903, ST50825152, MFCD00013986 (98%), M-2620, I01-8330, Z1696844736, 5-Methylbenzene-1,3-dicarboxylic acid; 5-Methyl-1,3-benzoic acid; 5-Methyl-1,3-benzenedicarboxylic acid; 2,4-Toluenedicarboxylic acid; 4-Methylisophthalic acid, 1, 5-methyl-, C9H8O4, C9-H8-O4, CID68137, 5-Ethyl-1,3-BenzenedicarboxylicAcid, AR-1L8097, ACN-050306, 5-Methylisophthalic acid, 98% - 25G 25g, 3347-99-7, 51895-55-7,

Complexity	202
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	180.042g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	180.159g/mol
Monoisotopic Mass	180.042g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	74.6A^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

Lot Number