AG003M2K

99-94-5 | Supported benzoic acid (100-200/2.5-3.0)

AG003M2K

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CAS Number	99-94-5
Catalog Number	AG003M2K(AGN-PC-0157FU)
Chemical Name	Supported benzoic acid (100-200/2.5-3.0)
EC Number	202-803-3
IUPAC Name	4-methylbenzoic acid
InChI	InChI=1S/C8H8O2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3,(H,9,10)
InChI Key	LPNBBFKOUUSUDB-UHFFFAOYSA-N
MDL Number	MFCD00002565
Molecular Formula	C8H8O2
Molecular Weight	136.1479
NSC Number	2215
SMILES	O=C(O)C1=CC=C(C)C=C1
UNII	A26GBX5SSV
Synonyms	4-methylbenzoate, 4-toluic acid, 4-toluic acid, barium salt, 4-toluic acid, cadmium salt, 4-toluic acid, calcium salt, 4-toluic acid, potassium salt, 4-toluic acid, zinc salt, p-methylbenzoate, p-toluenecarboxylate, p-toluic acid, 4-Methylbenzoic acid, P-TOLUIC ACID, 99-94-5, 4-Toluic acid, p-Methylbenzoic acid, Crithminic acid, p-Toluylic acid, Benzoic acid, 4-methyl-, p-Carboxytoluene, para-Toluic acid, 4-Methyl-Benzoic Acid, Toluate, Toluenecarboxylic acid, p-Toluate, UNII-A26GBX5SSV, para toluic acid, NSC 2215, p-Toluic acid, 98%, EINECS 202-803-3, MFCD00002565, A26GBX5SSV, BRN 0507600, AI3-15627, CHEBI:36635, LPNBBFKOUUSUDB-UHFFFAOYSA-N, p-toluicacid, 4MA, Crithmic acid, rho-toluic acid, 4-Carboxytoluene, 4-MethylbenzoicAcid, 4-methylbenzic acid, p-Tolylcarboxylic acid, para-methylbenzoic acid, 4-Methyl benzoic acid, PubChem15433, ACMC-209sek, Benzoic acid,4-methyl-, AC1Q2JXU, AC1Q2QRL, toluene-4-carboxylic acid, DSSTox_CID_1618, bmse000414, AC1L1OU1, WLN: QVR D1, DSSTox_RID_76238, NCIOpen2_001271, SAMPL4, O2, DSSTox_GSID_21618, SCHEMBL93638, SUPPORTED BENZOIC ACID, 4-methylbenzenecarboxylic acid, KSC487C8N, CHEMBL21708, RARECHEM AL BO 0067, DTXSID6021618, CTK3I7186, TIMTEC-BB SBB040516, NSC2215, 2420-97-5 (cadmium salt), BDBM197303, p-Toluic acid, analytical standard, ZINC330134, CS-D0602, KS-00000CE0, NSC-2215, AKOS BBS-00003712, Tox21_201091, ANW-41082, BBL005649, HTS006398, KM3522, LABOTEST-BB LT00798642, SBB040516, STK498227, AKOS000119644, AC-3061, AS00864, BS-3777, LS-2071, MCULE-2497536187, RP20258, CAS-99-94-5, OTAVA-BB 7119561590, NCGC00091128-01, NCGC00091128-02, NCGC00258643-01, AJ-19289, AK106262, AN-13376, BC675261, SC-94826, SY003713, TR-033307, FT-0654542, ST24023609, ST50213865, MFCD00002565 (98%), C01454, p-Toluic acid, Vetec(TM) reagent grade, 98%, 31538-EP2308858A1, 31538-EP2311816A1, 31538-EP2311817A1, AB-131/40170882, Supported benzoic acid (100-200/2.5-3.0), I04-0389, W-100006, Z57902424, F1679-0157, UNII-I889W3548N component LPNBBFKOUUSUDB-UHFFFAOYSA-N, InChI=1/C8H8O2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3,(H,9,10, Toluic acid, 4-Methylbenzoate, p-Toluyl alcohol, p-methylbenzoate, p-toluenecarboxylate, Acide p-methylbenzoique, Benzoic acid, methyl-, 4-toluic acid, zinc salt, D05ZPJ, 4-toluic acid, barium salt, C8H8O2, 4-toluic acid, cadmium salt, 4-toluic acid, calcium salt, 4-toluic acid, potassium salt, 4-MA, CID7470, C8-H8-O2, AR-1L2554, 4-Methylbenzoic acid, 99% - 1KG 1kg, P-Toluic Acid 99% for synthesis 250gm, T0293, 4-27-00-07537 (Beilstein Handbook Reference), C009504, 25567-10-6, 6642-03-1,

Complexity	123
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	136.052g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	136.15g/mol
Monoisotopic Mass	136.052g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number