AG003M15

98-73-7 | 4-(tert-Butyl)benzoic acid

AG003M15

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CAS Number	98-73-7
Catalog Number	AG003M15(AGN-PC-0JK82R)
Chemical Name	4-(tert-Butyl)benzoic acid
EC Number	202-696-3
IUPAC Name	4-tert-butylbenzoic acid
InChI	InChI=1S/C11H14O2/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h4-7H,1-3H3,(H,12,13)
InChI Key	KDVYCTOWXSLNNI-UHFFFAOYSA-N
MDL Number	MFCD12828694
Molecular Formula	C11H14O2
Molecular Weight	178.2277
NSC Number	4802
SMILES	C1=CC(=CC=C1C(C)(C)C)C(O)=O
UNII	43Z7T3VN0R
Synonyms	4-tert-butylbenzoic acid, 4-tert-butylbenzoic acid, aluminum salt, 4-tert-butylbenzoic acid, barium salt, 4-tert-butylbenzoic acid, calcium salt, 4-tert-butylbenzoic acid, magnesium salt, 4-tert-butylbenzoic acid, potassium salt, 4-tert-butylbenzoic acid, sodium salt, 4-tert-butylbenzoic acid, zinc salt, para-tert-butylbenzoic acid, 4-tert-Butylbenzoic acid, 98-73-7, 4-(tert-butyl)benzoic acid, P-TERT-BUTYLBENZOIC ACID, TBBA, Benzoic acid, 4-(1,1-dimethylethyl)-, 4-t-butylbenzoic acid, Benzoic acid, p-tert-butyl-, 4-tert-Butyl-benzoic acid, p-t-Butylbenzoic acid, 4-tert-Butylbenzoicacid, NSC 4802, UNII-43Z7T3VN0R, Kyselina p-terc.butylbenzoova, Benzoic acid, 4-tert-butyl-, HSDB 5321, EINECS 202-696-3, Kyselina p-terc.butylbenzoova [Czech], BRN 0607545, CHEMBL93746, AI3-28522, 43Z7T3VN0R, CHEBI:34443, KDVYCTOWXSLNNI-UHFFFAOYSA-N, 4-(1,1-dimethylethyl)benzoic acid, MFCD00002563, CCRIS 9443, p-t-butyl benzoic acid, PubChem19991, p-sec-Butylbenzoic acid, 4-t-butyl benzoic acid, AC1L1OOM, AC1Q5TVE, 4-tert -butylbenzoic acid, 4-tert-butyl benzoic acid, p-(t-butyl)-benzoic acid, 4-Tert.-Butylbenzoic Acid, EC 202-696-3, AC1Q1LZ6, AC1Q1LZ7, 4-tertiary-butylbenzoic acid, ACMC-1BP63, DSSTox_CID_20703, DSSTox_RID_79554, DSSTox_GSID_40703, SCHEMBL36693, 4-(tert-butyl)-benzoic acid, 4-~{tert}-butylbenzoic acid, 4-09-00-01884 (Beilstein Handbook Reference), BIDD:ER0699, Benzoic acid,1-dimethylethyl)-, DTXSID0040703, 4-tert-Butylbenzoic acid, 99%, KS-00000VUH, NSC4802, P-Tert-Butylbenzoic Acid, 99%, BENZOIC ACID,4-TERT.BUTYL, ZINC388305, NSC-4802, Tox21_301337, ANW-40955, BDBM50405320, SBB040518, STK724072, p-tert-Butylbenzoic acid (P-TBBA), AKOS000160810, BS-3966, CM12555, CS-W017327, MCULE-5279293567, RP23968, RTR-030356, TRA0062508, WLN: QVR XX1 & 1 & 1, CAS-98-73-7, NCGC00164066-01, NCGC00255598-01, AC-10999, AJ-20542, AK-44159, AN-24490, BC676741, BR-44159, LS-36304, SC-23348, AB1001391, ST2411039, TL8007007, TR-030356, AM20060764, B0717, BB 0221132, FT-0619495, ST50213867, C14535, M-5881, I01-0438, W-100065, F2191-0110, Z256708702, UNII-UGL7Q68L1S component KDVYCTOWXSLNNI-UHFFFAOYSA-N, p-tert-Butylbenzoic acid-Benzoic acid, 4-(1,1-dimethylethyl)-, InChI=1/C11H14O2/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h4-7H,1-3H3,(H,12,13, null, Unknown Ligand, 4-tert-butylbenzoate, p-TBBA, 4-tert-butylbenzoesyre, p-tert-butyl benzoic acid, 4-(tert-Butyl)benzoicacid, Tert-butyl benzoic acid, P-, 4-tert-Butylcyclohexanecarboxylic acid, CID7403, Benzoic acid, (1,1-dimethylethyl)-, C11H14O2, AR-1G4695, C11-H14-O2, 4-tert-Butylbenzoic acid, 99% - 25G 25g, P-Tert-Butyl Benzoic Acid for synthesis (PTBBA) 500gm, 5451-55-8, 1077-58-3, 1320-16-7, 6283-04-1, UNL,

Complexity	183
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	3.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302+H332-H311
Packing Group	Ⅲ
Precautionary statements	P280-P312
UN Code	UN 2811

Certificate of Analysis

Lot Number