AG005ZEO

67589-39-3 | Trans-4-ethoxyphenyl 4-propylcyclohexanecarboxylate

AG005ZEO

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CAS Number	67589-39-3
Catalog Number	AG005ZEO(AGN-PC-0OG7U2)
Chemical Name	Trans-4-ethoxyphenyl 4-propylcyclohexanecarboxylate
EC Number	266-744-5
IUPAC Name	(4-ethoxyphenyl) 4-propylcyclohexane-1-carboxylate
InChI	InChI=1S/C18H26O3/c1-3-5-14-6-8-15(9-7-14)18(19)21-17-12-10-16(11-13-17)20-4-2/h10-15H,3-9H2,1-2H3
InChI Key	DCCOHKNJQHHEHV-UHFFFAOYSA-N
MDL Number	MFCD11053417
Molecular Formula	C18H26O3
Molecular Weight	290.3972
SMILES	O=C([C@H]1CC[C@H](CCC)CC1)OC2=CC=C(OCC)C=C2
Synonyms	67589-39-3, Trans-4-ethoxyphenyl 4-propylcyclohexanecarboxylate, 4-Ethoxyphenyl trans-4-propylcyclohexanecarboxylate, Cyclohexanecarboxylic acid, 4-propyl-, 4-ethoxyphenyl ester, trans-, 4-Ethoxyphenyl 4-propylcyclohexanecarboxylate, EINECS 266-744-5, AC1L30QT, AC1Q61DF, SCHEMBL2213018, SCHEMBL7763807, SCHEMBL10097218, SCHEMBL13433675, CTK5C6384, DCCOHKNJQHHEHV-SHTZXODSSA-N, KS-00000O3N, MFCD11053417, AKOS015918087, AKOS027381045, ZINC263583880, AK393981, DS-13320, CS-0059656, FT-0723192, 4-Ethoxyphenyl 4-propylcyclohexanecarboxylate #, 4-Ethoxyphenyl-trans-4-propylcyclohexylcarboxylat, (4-ethoxyphenyl) 4-propylcyclohexane-1-carboxylate, I14-9114, 4-Propylcyclohexane-1-carboxylic acid 4-ethoxyphenyl ester, 4beta-Propyl-1alpha-cyclohexanecarboxylic acid p-ethoxyphenyl ester, Cyclohexanecarboxylic acid,4-propyl-,4-ethoxyphenyl ester,trans-, TRANS-4-PROPYL-CYCLOHEXANECARBOXYLIC ACID 4-ETHOXY-PHENYL ESTER, C18H26O3, AR-1G2178, CID106716, C18-H26-O3, 4-ethoxyphenyltrans-4-propylcyclohexanecarboxylate, TRANS-4-ETHOXY-PHENYL 4-PROPYLCYCLOHEXANECARBOXYLATE, 68298-23-7,

Complexity	300
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	290.188g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	290.403g/mol
Monoisotopic Mass	290.188g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	35.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.4

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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