AG00IBHG

65355-30-8 | Benzoic acid, 4-(trans-4-pentylcyclohexyl)-

AG00IBHG

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CAS Number	65355-30-8
Catalog Number	AG00IBHG(AGN-PC-0OF7IW)
Chemical Name	Benzoic acid, 4-(trans-4-pentylcyclohexyl)-
IUPAC Name	4-(4-pentylcyclohexyl)benzoic acid
InChI	InChI=1S/C18H26O2/c1-2-3-4-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)18(19)20/h10-15H,2-9H2,1H3,(H,19,20)
InChI Key	YXKKMVGGPRVHIL-UHFFFAOYSA-N
MDL Number	MFCD06208360
Molecular Formula	C18H26O2
Molecular Weight	274.3978
SMILES	O=C(O)C1=CC=C([C@H]2CC[C@H](CCCCC)CC2)C=C1
Synonyms	65355-30-8, 4-(trans-4-pentylcyclohexyl)benzoic acid, 4-(trans-4-n-Pentylcyclohexyl)benzoic acid, 4-(4-pentylcyclohexyl)benzoic acid, 4-((1s,4r)-4-Pentylcyclohexyl)benzoic acid, 4-pentyl-cyclohexyl benzoic acid, 4-Pentyl Cyclohexyl Benzoic Acid, AK-36000, trans-4-(4-n-Pentylcyclohexyl)benzoic acid, 66227-33-6, 4-[(1s,4r)-4-pentylcyclohexyl]benzoic acid, BAS 00396056, AC1MJ0SL, SCHEMBL220859, SCHEMBL220860, SCHEMBL13394845, CTK2F2914, KS-00000NQU, DTXSID50389271, YXKKMVGGPRVHIL-SHTZXODSSA-N, ACT01039, ZINC2022908, MFCD00187851, MFCD06208360, STK670837, 4-(4-Pentyl-cyclohexyl)-benzoic acid, AKOS001720940, AKOS015914918, ZINC100004059, ZINC242728189, MCULE-7011530243, VZ27967, 4-(trans-4-Amylcyclohexyl)benzoic Acid, NCGC00332291-01, p-(trans-4-pentylcyclohexyl)benzoic acid, AJ-32795, AN-38623, BR-36000, DA-04510, DS-12818, SC-13351, DB-005316, ST2405487, ST4016376, TC-030617, FT-0600955, FT-0702191, W7667, Benzoic acid, 4-(trans-4-pentylcyclohexyl)-, J3.595.731F, S-3764, AB01326462-02, 355P308, A835084, I14-6552, A0791/0037039, C18H26O2, CP-509, CID3104716, A2593, 4-(trans-4-Amylcyclohexyl)benzoic acid, 98% - 25G 25g,

Complexity	284
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	274.193g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	274.404g/mol
Monoisotopic Mass	274.193g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	6.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number