AG003IOT

499-06-9 | 3,5-Dimethylbenzoic acid

AG003IOT

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CAS Number	499-06-9
Catalog Number	AG003IOT(AGN-PC-0JK9IL)
Chemical Name	3,5-Dimethylbenzoic acid
EC Number	207-876-5
IUPAC Name	3,5-dimethylbenzoic acid
InChI	InChI=1S/C9H10O2/c1-6-3-7(2)5-8(4-6)9(10)11/h3-5H,1-2H3,(H,10,11)
InChI Key	UMVOQQDNEYOJOK-UHFFFAOYSA-N
MDL Number	MFCD00002525
Molecular Formula	C9H10O2
Molecular Weight	150.1745
NSC Number	37562
SMILES	C1=C(C=C(C=C1C(O)=O)C)C
UNII	ED8AV34N0Y
Synonyms	3,5-dimethylbenzoate, 3,5-dimethylbenzoic acid, 3,5-DIMETHYLBENZOIC ACID, 499-06-9, Mesitylenic acid, Benzoic acid, 3,5-dimethyl-, UNII-ED8AV34N0Y, 3,5-Dimethyl benzoic acid, 3,5-Dimethyl-benzoic acid, EINECS 207-876-5, NSC 37562, BRN 1072182, ED8AV34N0Y, CHEMBL118239, CHEBI:64821, 3,5-Dimethylbenzoic acid, 99%, UMVOQQDNEYOJOK-UHFFFAOYSA-N, MFCD00002525, 3,5-Dimethylbenzoicacid, sym.-m-Xylylic acid, PubChem15440, 3,5-Dimethylbezoic acid, 3,5 Dimethylbenzoic acid, ACMC-1CU6S, AC1L1V0Z, AC1Q2I9J, m-Xylene-5-carboxylic Acid, 4-09-00-01806 (Beilstein Handbook Reference), KSC235O6F, SCHEMBL221684, DTXSID4060101, CTK1D5762, KS-00000CMJ, ZINC330139, NSC37562, STR01989, ANW-30870, BDBM50405323, NSC-37562, SBB064102, STL164368, AKOS000119565, AB00235, CM12703, CS-W019514, FS-2204, MCULE-8058685171, RP21365, RTR-017890, TRA0042234, AC-10405, AJ-19291, AK-45888, AN-45343, BP-12851, BR-45888, LS-37161, SC-18584, SY012192, TL806253, DB-030897, ST2417309, TR-017890, AM20060638, D0684, FT-0602342, ST50308234, AZ0001-0141, 99D069, Q-7434, MFCD00002525 (97+%), AB-131/40207591, I01-4005, 3,5-Dimethylbenzoic acid, purum, >=97.0% (HPLC), F2191-0064, Z1258992438, InChI=1/C9H10O2/c1-6-3-7(2)5-8(4-6)9(10)11/h3-5H,1-2H3,(H,10,11, Benzoic acid,5-dimethyl-, 2-Chloro-5-fluoropyridine, 2-(3,5-dimethylphenyl)acetic acid, C9H10O2, CID10356, C9-H10-O2, ACN-050039, D-5000, Benzoic acid, 3,5-dimethyl- (7CI,8CI,9CI), 3,5-Dimethylbenzoic acid, 98% - 100G 100g, 42288-46-0, 31301-51-6,

Complexity	144
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	150.068g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	150.177g/mol
Monoisotopic Mass	150.068g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

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