AG00I8DV

4408-60-0 | 2-Mesitylacetic acid

AG00I8DV

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CAS Number	4408-60-0
Catalog Number	AG00I8DV(AGN-PC-0JLR5J)
Chemical Name	2-Mesitylacetic acid
EC Number	224-556-0
IUPAC Name	2-(2,4,6-trimethylphenyl)acetic acid
InChI	InChI=1S/C11H14O2/c1-7-4-8(2)10(6-11(12)13)9(3)5-7/h4-5H,6H2,1-3H3,(H,12,13)
InChI Key	CQWMQAKKAHTCSC-UHFFFAOYSA-N
MDL Number	MFCD00014368
Molecular Formula	C11H14O2
Molecular Weight	178.2277
NSC Number	11348
SMILES	O=C(O)CC1=C(C)C=C(C)C=C1C
Synonyms	2-Mesitylacetic acid, 4408-60-0, Mesitylacetic acid, 2,4,6-Trimethylphenylacetic acid, (2,4,6-Trimethylphenyl)acetic acid, 2-(2,4,6-trimethylphenyl)acetic acid, Mesityleneacetic Acid, 2,4,6-Trimethylbenzeneacetic Acid, Benzeneacetic acid, 2,4,6-trimethyl-, 2-Mesityleneacetic acid, 2,4,6-Trimethulphenylacetic acid, CQWMQAKKAHTCSC-UHFFFAOYSA-N, MFCD00014368, (2,4,6-Trimethyl-phenyl)-acetic acid, Mesitylessigsaure, 2,4,6-Trimethyphenylacetic acid, Mesityl acetic acid, Mesityl-acetic acid, EINECS 224-556-0, ACMC-209jwd, Alizarin Cyanin Green G, AC1L2UJA, AC1Q2HYW, Mesitylacetic acid, 97%, SCHEMBL509440, RARECHEM AL BO 0305, 2,4,6-TMPAC, 2,4,6-Trimethyl-a-toluic acid, CTK3J2676, KS-00000GCJ, DTXSID40196032, OTAVA-BB 1199263, ZINC166097, ACN-S002702, ACN-S004300, EBD31083, NSC11348, STR05126, ANW-30059, BBL020408, NSC-11348, SBB068866, STK114884, AKOS001476152, AS00543, CS-W017323, MCULE-3017049310, RP23969, RTR-017031, NCGC00336955-01, AC-23598, AJ-16467, AK-40063, BP-12803, SY014079, TS-02482, AB0030501, DB-026627, TR-017031, AM20060777, BB 0248969, FT-0604577, M1218, ST24028062, ST50407813, X2699, MFCD00014368 (98%), M-4780, AB01330109-02, 408T600, J-507087, S01-0462, C.I. 61570; Alizarin Cyanin Green G; Disodium 2,2'-(9,10-dioxoanthracene-1,4-diyldiimino)bis(5-methylsulphonate), Mesityacetiacid, MESITYLACETICACID, MESITYLACETYL CHLORIDE, C11H14O2, CID78123, Mesitylacetic acid, 98% - 1g 1g, ACN-046429, C11-H14-O2, C.I. 61570, 2,4,6-TRIMETHYLBENZENEACETYL CHLORIDE, 52629-46-6, Disodium 2,2'-(9,10-dioxoanthracene-1,4-diyldiimino)bis(5-methylsulphonate),

Complexity	177
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	178.099g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	178.231g/mol
Monoisotopic Mass	178.099g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

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