AG0033IS

619-04-5 | 3,4-Dimethylbenzoic acid

AG0033IS

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CAS Number	619-04-5
Catalog Number	AG0033IS(AGN-PC-0JKAEC)
Chemical Name	3,4-Dimethylbenzoic acid
EC Number	210-576-7
IUPAC Name	3,4-dimethylbenzoic acid
InChI	InChI=1S/C9H10O2/c1-6-3-4-8(9(10)11)5-7(6)2/h3-5H,1-2H3,(H,10,11)
InChI Key	OPVAJFQBSDUNQA-UHFFFAOYSA-N
MDL Number	MFCD00002524
Molecular Formula	C9H10O2
Molecular Weight	150.1745
SMILES	OC(=O)c1ccc(c(c1)C)C
UNII	Z2TCZ088AV
Synonyms	3,4-dimethylbenzoate, 3,4-dimethylbenzoic acid, 3,4-DIMETHYLBENZOIC ACID, 619-04-5, Benzoic acid, 3,4-dimethyl-, 3,4-DiMethyl-Benzoic Acid, 1-Carboxy-3,4-dimethylbenzene, BRN 0907267, EINECS 210-576-7, MFCD00002524, UNII-Z2TCZ088AV, o-Xylene-4-carboxylic Acid, Z2TCZ088AV, 3,4-Dimethylbenzoic acid, 98%, OPVAJFQBSDUNQA-UHFFFAOYSA-N, 3,4-Dimethylbenzoicacid, PubChem14893, AC1Q2DSY, 3,4-dimethyl benzoic acid, ASYM-O-XYLYLIC ACID, AC1L1YS9, ACMC-1B5P1, 3, 4 dimethyl benzoic acid, Benzoic acid,3,4-dimethyl-, 4-09-00-01803 (Beilstein Handbook Reference), SCHEMBL310259, PARAGOS 440018, RARECHEM AL BO 0330, DTXSID5060693, CHEBI:64818, CTK5B4015, OPVAJFQBSDUNQA-UHFFFAOYSA-, TIMTEC-BB SBB043550, ZINC98166, OTAVA-BB 1312864, KS-000013HL, AKOS BBS-00007820, BENZOIC ACID, 3,4-DIMETHYL, AKOS A1230-3213, ANW-33983, LABOTEST-BB LT01148418, LABOTEST-BB LT03333428, SBB043550, STL169575, AKOS000120463, AC-8956, AN-7519, AS00741, CS-W018150, DS-1853, FS-2351, MCULE-1098895004, RP21367, TRA0030526, NCGC00338539-01, AJ-11062, AK-81463, BC215410, LS-37160, SC-80995, AB0010805, ST2417252, TC-122728, TL8003975, FT-0614372, ST50194674, M-4381, AB01331517-02, AE-562/40207816, I01-0294, W-105082, F3098-0374, Z235363085, InChI=1/C9H10O2/c1-6-3-4-8(9(10)11)5-7(6)2/h3-5H,1-2H3,(H,10,11), 3,4-dimethylbenzoate, Acide dimethyl-3,4-benzoique, C9H10O2, CID12073, C9-H10-O2, ACN-050623, D1439, Benzoic acid, 3,4-dimethyl- (7CI,8CI,9CI), 3,4-Dimethylbenzoic acid, 98% - 100G 100g,

Complexity	154
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	2.7

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