AG003FUC

611-01-8 | 2,4-Dimethylbenzoic Acid

AG003FUC

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CAS Number	611-01-8
Catalog Number	AG003FUC(AGN-PC-0JKAAI)
Chemical Name	2,4-Dimethylbenzoic Acid
EC Number	210-246-2
IUPAC Name	2,4-dimethylbenzoic acid
InChI	InChI=1S/C9H10O2/c1-6-3-4-8(9(10)11)7(2)5-6/h3-5H,1-2H3,(H,10,11)
InChI Key	BKYWPNROPGQIFZ-UHFFFAOYSA-N
MDL Number	MFCD00002480
Molecular Formula	C9H10O2
Molecular Weight	150.1745
NSC Number	407532
SMILES	C1=CC(=CC(=C1C(O)=O)C)C
UNII	1QJD7P2UWB
Synonyms	2,4-dimethylbenzoic acid, 2,4-dimethylbenzoic acid, sodium salt, 2,4-DIMETHYLBENZOIC ACID, 611-01-8, Benzoic acid, 2,4-dimethyl-, 4-Carboxy-1,3-dimethylbenzene, 2,4-Dimethyl benzoic acid, UNII-1QJD7P2UWB, MFCD00002480, 1QJD7P2UWB, m-Xylene-4-carboxylic Acid, 2,4-DiMethyl-Benzoic Acid, 2,4-Dimethylbenzoic acid, 98%, BKYWPNROPGQIFZ-UHFFFAOYSA-N, 2,4-Dimethylbenzoicacid, EINECS 210-246-2, NSC407532, NSC 407532, PubChem15441, AC1L1YDX, AC1Q2HWM, 2,4 dimethylbenzoic acid, Benzoic acid,4-dimethyl-, ACMC-209mp3, ASYM-M-XYLYLIC ACID, NCIOpen2_003775, KSC352Q8D, SCHEMBL107259, RARECHEM AL BO 0327, DTXSID2060595, CHEBI:64811, CTK2F2881, KS-00000CBK, OTAVA-BB 1506467, ZINC388239, ANW-33685, BBL019078, SBB052762, STL169574, AKOS000120414, AC-2687, AS03894, CM10965, CS-W018148, FS-2349, MCULE-6377289748, NSC-407532, RL04302, RP21368, RTR-021054, TRA0086927, AC-10005, AJ-20505, AK-47303, AN-13710, BR-47303, SC-15385, SY002565, TL806418, DB-019987, TR-021054, AM20050253, D1438, FT-0610171, ST24032285, ST50824222, M-4960, MFCD00002480 (97+%), 2,4-Dimethylbenzoic acid, purum, >=98.0% (T), 611D018, AE-562/40207817, I01-1434, W-105196, F2191-0084, Z1258992649, InChI=1/C9H10O2/c1-6-3-4-8(9(10)11)7(2)5-6/h3-5H,1-2H3,(H,10,11, m-Xylylic acid, Acide dimethyl-2,4-benzoique, C9H10O2, CID11897, C9-H10-O2, 2,4-Dimethylbenzoic acid, 98% - 10G 10g, Benzoic acid, 2,4-dimethyl- (7CI,8CI,9CI),

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	2.8

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

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