AG003S6E

99-04-7 | 3-Methylbenzoic acid

AG003S6E

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CAS Number	99-04-7
Catalog Number	AG003S6E(AGN-PC-0D6ULO)
Chemical Name	3-Methylbenzoic acid
EC Number	202-723-9
IUPAC Name	3-methylbenzoic acid
InChI	InChI=1S/C8H8O2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3,(H,9,10)
InChI Key	GPSDUZXPYCFOSQ-UHFFFAOYSA-N
MDL Number	MFCD00002523
Molecular Formula	C8H8O2
Molecular Weight	136.1479
NSC Number	2214
SMILES	O=C(O)C1=CC=CC(C)=C1
UNII	1UA7K8EEXT
Synonyms	3-methylbenzoic acid, 3-toluic acid, 3-toluic acid, barium salt, 3-toluic acid, cadmium salt, 3-toluic acid, zinc salt, m-toluate, m-toluic acid, 3-Methylbenzoic acid, M-TOLUIC ACID, 99-04-7, m-Toluylic acid, 3-Toluic acid, Benzoic acid, 3-methyl-, meta-Toluic acid, m-Methylbenzoic acid, beta-Methylbenzoic acid, 3-Methyl-Benzoic Acid, beta-Bethylbenzoic acid, UNII-1UA7K8EEXT, NSC 2214, EINECS 202-723-9, 1UA7K8EEXT, BRN 0970526, CHEMBL67450, AI3-15626, CHEBI:10589, GPSDUZXPYCFOSQ-UHFFFAOYSA-N, MFCD00002523, beta-bethylbenzoate, m-Toluic acid, 99%, DSSTox_CID_1617, DSSTox_RID_76237, DSSTox_GSID_21617, CAS-99-04-7, 3-Methylbenzoicacid, 3-toluic acid, zinc salt, 3-toluic acid, barium salt, 3-toluic acid, cadmium salt, meta-toluate, m-Toluylate, b-Bethylbenzoate, b-Methylbenzoate, 3-methyl-benzoate, beta-Methylbenzoate, 3-methylbenzic acid, b-Bethylbenzoic acid, b-Methylbenzoic acid, m-methyl-benzoic acid, meta-methylbenzoic acid, PubChem15435, META TOLUIC ACID, M-ToluicAcidForSynthesis, AC1L1OPV, AC1Q5TNK, bmse000553, NCIOpen2_000993, SCHEMBL14406, KSC179G3H, BENZOIC ACID,3-METHYL, AC1Q2N74, DTXSID1021617, NSC2214, ZINC330142, ACMC-209793, KS-00000C9Y, NSC-2214, Tox21_201591, Tox21_302796, ANW-13669, BDBM50405326, SBB040526, STK397307, AKOS000120442, AS00863, LS-2054, m-Toluic acid, ReagentPlus(R), 99%, MCULE-8632144278, NE10205, RP20257, RTR-030385, TRA0056976, NCGC00091271-01, NCGC00091271-02, NCGC00091271-03, NCGC00256583-01, NCGC00259140-01, AJ-19293, AK116994, AN-24502, AS-10810, SC-26660, AB1002148, ST2410792, TR-030385, CS-0008583, FT-0629015, ST50213886, C07211, m-Toluic acid, Vetec(TM) reagent grade, 98%, 31534-EP2308858A1, 31534-EP2311816A1, 31534-EP2311817A1, AB-131/40222909, I01-6220, W-100055, Z57913535, F2191-0114, UNII-I889W3548N component GPSDUZXPYCFOSQ-UHFFFAOYSA-N, InChI=1/C8H8O2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3,(H,9,10, m-toluate, m-Methylbenzoate, m-toluylsyre, Toluic acid, 3-toluate, Acide m-methylbenzoique, Acide methyl-m-benzoique, C8H8O2, CID7418, C8-H8-O2, AR-1F4387, M-Toluic Acid 98% for synthesis 250gm, m-Toluic acid, 99% - 100G 100g, T0291, 4-27-00-07537 (Beilstein Handbook Reference), C009503, 2066-11-7,

Complexity	131
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	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319-H335-H302
Precuationary statements	P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Siginal words

Certificate of Analysis

Lot Number