AG0037AE

536-66-3 | 4-Isopropylbenzoic acid

AG0037AE

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CAS Number	536-66-3
Catalog Number	AG0037AE(AGN-PC-0D8B4W)
Chemical Name	4-Isopropylbenzoic acid
EC Number	208-642-5
IUPAC Name	4-propan-2-ylbenzoic acid
InChI	InChI=1S/C10H12O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h3-7H,1-2H3,(H,11,12)
InChI Key	CKMXAIVXVKGGFM-UHFFFAOYSA-N
MDL Number	MFCD00002564
Molecular Formula	C10H12O2
Molecular Weight	164.2011
SMILES	C1=CC(=CC=C1C(C)C)C(O)=O
UNII	6LP0WTM1JB
Synonyms	4-isopropylbenzoate, 4-isopropylbenzoic acid, cumic acid, p-cumate, 4-Isopropylbenzoic acid, 536-66-3, Cuminic acid, CUMIC ACID, p-Isopropylbenzoic acid, 4-(1-Methylethyl)benzoic acid, 4-(propan-2-yl)benzoic acid, Benzoic acid, 4-(1-methylethyl)-, Benzoic acid, p-isopropyl-, p-cumic acid, 4-Isopropyl benzoic acid, p-Cumate, 4-Isopropylbenzoicacid, 4-isopropyl-benzoic acid, UNII-6LP0WTM1JB, 4-propan-2-ylbenzoic acid, NSC 1907, EINECS 208-642-5, MFCD00002564, 6LP0WTM1JB, BRN 1907514, AI3-17970, CHEBI:28122, CKMXAIVXVKGGFM-UHFFFAOYSA-N, Benzoic acid, p-isopropyl- (8CI), 4-(methylethyl)benzoic acid, F3284-7377, 4-Isopropylbenzoic acid, 98+%, Cuminsaure, PubChem20027, p-isopropyl-benzoic acid, 4iso-propyl benzoic acid, AC1Q1OKL, 4-iso-propyl benzoic acid, ACMC-209l9a, bmse000662, AC1L1W0N, 4-09-00-01843 (Beilstein Handbook Reference), 4-Isopropylbenzoic acid 90%, SCHEMBL105270, CHEMBL116158, DTXSID6060210, 4-(1-methylethyl)-benzoic acid, CTK1G9796, KS-00000VEN, NSC1907, 4-Isopropylbenzoic acid, >=98%, ZINC151915, ACT08166, NSC-1907, NSC20083, ANW-31820, NSC-20083, SBB063138, STK012850, 4-(1-Methylethyl)benzoic acid, 9CI, AKOS000119633, AC-2685, BS-3886, CS-W014287, MCULE-7346179959, RP22718, RTR-037016, TRA0007242, NCGC00341440-01, AJ-12707, AK-47310, AN-13708, BC208085, BR-47310, LS-37886, SC-16521, DB-052372, TL8003523, TR-037016, AM20050172, FT-0624113, I0169, ST24032811, ST50135967, C06578, M-5259, AB01333219-02, 536I663, AE-562/40242410, I01-0549, 4IA, InChI=1/C10H12O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h3-7H,1-2H3,(H,11,12, Cumate, C10H12O2, CID10820, C10-H12-O2, I103, 4-Isopropylbenzoic acid, 98% - 100G 100g, 85275-45-2,

Complexity	155
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	164.084g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	164.204g/mol
Monoisotopic Mass	164.084g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number