AG003UXJ

65355-29-5 | 4-(trans-4-n-Propylcyclohexyl)benzoic acid

AG003UXJ

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CAS Number	65355-29-5
Catalog Number	AG003UXJ(AGN-PC-0OF7IR)
Chemical Name	4-(trans-4-n-Propylcyclohexyl)benzoic acid
EC Number	613-780-8
IUPAC Name	4-(4-propylcyclohexyl)benzoic acid
InChI	InChI=1S/C16H22O2/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(11-9-14)16(17)18/h8-13H,2-7H2,1H3,(H,17,18)
InChI Key	VACLULPMEXHBMD-UHFFFAOYSA-N
MDL Number	MFCD06658177
Molecular Formula	C16H22O2
Molecular Weight	246.3447
SMILES	CCC[C@H]1CC[C@@H](CC1)C1=CC=C(C=C1)C(O)=O
Synonyms	65355-29-5, 4-(trans-4-n-Propylcyclohexyl)benzoic acid, 4-(trans-4-propylcyclohexyl)benzoic acid, 4-(4-propylcyclohexyl)benzoic Acid, trans-4-(4-n-Propylcyclohexyl)benzoic acid, 4-Propyl Cyclohexyl Benzoic Acid, MFCD06658177, Benzoic acid, 4-(4-propylcyclohexyl)-, 4-((1s,4r)-4-propylcyclohexyl)benzoic acid, 88561-78-8, ACMC-20lbd4, 4-(trans-4-n-Propylcyclohexyl)benzoicacid, AC1NC46E, Oprea1_223399, SCHEMBL2770921, SCHEMBL3267992, CTK3A9610, CTK3J7302, KS-00000NNZ, VACLULPMEXHBMD-JOCQHMNTSA-N, ZINC2022905, 0009AC, ANW-66606, CP-510, AKOS001483203, AKOS015914917, ZINC100004127, ZINC242687910, CCG-103086, TRA0082213, VZ27970, NCGC00339993-01, p-(trans-4-propylcyclohexyl)benzoic acid, AJ-32794, AK-35999, AN-38622, DS-12817, SC-13349, Np(trans-4-N-propylcyclohexyl)benzoic acid, 4-(trans-4'-propylcyclohexyl) benzoic acid, DB-006565, RT-003737, EU-0033363, FT-0641012, P2438, ST24043158, AB01332974-02, 355N295, A835083, SR-01000388880, Trans-4 - (4 - propyl-cyclohexyl)-benzoic acid, 4-(4-TRANS-N-PROPYLCYCLOHEXYL)BENZOIC ACID, I14-6551, SR-01000388880-1, 4- BENZOICACID, 6-bromoquinolin-4-amine, C16H22O2, CID4552940,

Complexity	258
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	246.162g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	246.35g/mol
Monoisotopic Mass	246.162g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.3

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

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