AG00G6WN

81930-17-8 | 4-Cyanophenyl 4-(trans-4-propylcyclohexyl)benzoate

AG00G6WN

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CAS Number	81930-17-8
Catalog Number	AG00G6WN(AGN-PC-0OIMJH)
Chemical Name	4-Cyanophenyl 4-(trans-4-propylcyclohexyl)benzoate
EC Number	279-853-8
IUPAC Name	(4-cyanophenyl) 4-(4-propylcyclohexyl)benzoate
InChI	InChI=1S/C23H25NO2/c1-2-3-17-4-8-19(9-5-17)20-10-12-21(13-11-20)23(25)26-22-14-6-18(16-24)7-15-22/h6-7,10-15,17,19H,2-5,8-9H2,1H3
InChI Key	OOACYHPBBJELLX-UHFFFAOYSA-N
MDL Number	MFCD09750943
Molecular Formula	C23H25NO2
Molecular Weight	347.4501
SMILES	O=C(OC1=CC=C(C#N)C=C1)C2=CC=C([C@H]3CC[C@H](CCC)CC3)C=C2
Synonyms	81930-17-8, 4-Cyanophenyl 4-(trans-4-propylcyclohexyl)benzoate, (4-cyanophenyl) 4-(4-propylcyclohexyl)benzoate, p-Cyanophenyl trans-p-(4-propylcyclohexyl)benzoate, 4-(4-Propyl-cyclohexyl)-benzoic acid 4-cyano-phenyl ester, EINECS 279-853-8, AC1MI7K2, Oprea1_350913, Oprea1_860168, SCHEMBL11297124, SCHEMBL11297125, 4-CYANOPHENYL TRANS-4-(4-PROPYLCYCLOHEXYL)BENZOATE, KS-00000IK9, ZINC2022932, MFCD09750943, AKOS015917901, ZINC100003805, ZINC238809284, CS-W011876, DS-6473, AJ-32798, AK129869, AN-36223, BAS 00395897, AX8017145, FT-0722575, 4-Cyano-phenyl-4'-trans-propylcyclohexylbenzoate, 4-Cyanophenyl-4-trans-n-propylcyclohexylbenzoate, 4-Cyano-phenyl-4'-trans-propylcyclohexyl benzoate, 930C178, A840219, SR-01000388894, I14-9140, SR-01000388894-1, W-104193, 4-Cyanophenyl trans-4-(4-n-propylcyclohexyl)benzoate, trans-4-(4-Propylcyclohexyl)benzoic acid 4-Cyanophenyl, 4-(4-propylcyclohexyl)benzoic acid (4-cyanophenyl) ester, Benzoic acid, 4-(4-propylcyclohexyl)-, 4-cyanophenyl ester, trans-, C23-H25-N-O2, ZINC02022932, CID3019029,

Complexity	484
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	347.189g/mol
Formal Charge	0
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	347.458g/mol
Monoisotopic Mass	347.189g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	50.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	6.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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