AG003LXU

3575-31-3 | 4-Octylbenzoic acid

AG003LXU

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CAS Number	3575-31-3
Catalog Number	AG003LXU(AGN-PC-0JKEIA)
Chemical Name	4-Octylbenzoic acid
EC Number	222-692-5
IUPAC Name	4-octylbenzoic acid
InChI	InChI=1S/C15H22O2/c1-2-3-4-5-6-7-8-13-9-11-14(12-10-13)15(16)17/h9-12H,2-8H2,1H3,(H,16,17)
InChI Key	ZQLDNJKHLQOJGE-UHFFFAOYSA-N
MDL Number	MFCD00042649
Molecular Formula	C15H22O2
Molecular Weight	234.3340
NSC Number	173066
SMILES	CCCCCCCCC1=CC=C(C=C1)C(O)=O
UNII	PWH5I1J38K
Synonyms	4-Octylbenzoic acid, 3575-31-3, 4-n-Octylbenzoic acid, Benzoic acid, 4-octyl-, p-Octylbenzoic acid, Para-octylbenzoic acid, BENZOIC ACID, p-OCTYL-, p-n-Octyl benzoic acid, EINECS 222-692-5, UNII-PWH5I1J38K, NSC 173066, BRN 1954607, PWH5I1J38K, ZQLDNJKHLQOJGE-UHFFFAOYSA-N, MFCD00042649, FR-2313, AK-79085, p-octyl benzoic acid, 4-n-OctylbenzoicAcid, p-n-octylbenzoic acid, AC1L2DJI, Maybridge1_001984, ACMC-209ij0, Boc-N-Me-Val-OH DCHA, 4-Octylbenzoic acid, 99%, C4H3FN2O2S, 4-09-00-01962 (Beilstein Handbook Reference), SCHEMBL503611, CHEMBL3273770, DTXSID4063088, CTK1C4682, HMS547C04, ZINC1697881, ZX-AT023454, C12H23N.C11H21NO4, 1538AE, 1539AE, 1540AE, 4474AB, 4475AB, 4476AB, 4477AB, 4478AB, ANW-28282, CCG-41619, NSC173066, SBB008601, AKOS004908305, ACM3575313, AS-9143, MCULE-8941391261, NSC-173066, RTR-014758, KS-000015E8, AN-25202, LS-38053, AX8099633, TR-014758, FT-0619330, O0137, ST24043958, ST50827336, W2455, Z5855, C-48052, I01-7641, SR-01000631680-1, 4-Octylbenzoic acid, puriss., liquid crystal, >=99.0% (T), cabraleone, 2-Bromo-3-nitroaniline, C6H5BrN2O2, C8H14Cl2N2, C6H9N3O2S, Pyrimidine-2-sulfonyl fluoride, C11H13N, C12H14N2O2, C15H18N2O2, C15H22O2, C30H50O3, CID19147, 4,6-Dimethylpyrimidine-2-sulfonamide, 4-Octylbenzoic acid, 97% - 1G 1g, C15-H22-O2, N-(3-hydroxypropyl)-1H-indole-2-carboxamide, 1-Methyl-4,7-dihydro-2H-4,7-ethanoisoindole, ethyl 1-(2-cyanophenyl)-4-piperidinecarboxylate, N1,N1-Dimethylbenzene-1,3-diamine dihydrochloride, 3575-32-4, 35757-20-1, 357608-23-2, 35761-42-3, 35761-54-7, 357616-16-1, 35762-76-6, 35762-87-9, 357670-16-7,

Complexity	205
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	234.162g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	234.339g/mol
Monoisotopic Mass	234.162g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	6.1

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