AG005M6V

67589-38-2 | 4-Methoxyphenyl 4-propylcyclohexanecarboxylate

AG005M6V

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CAS Number	67589-38-2
Catalog Number	AG005M6V(AGN-PC-0OG7TZ)
Chemical Name	4-Methoxyphenyl 4-propylcyclohexanecarboxylate
EC Number	614-085-2
IUPAC Name	(4-methoxyphenyl) 4-propylcyclohexane-1-carboxylate
InChI	InChI=1S/C17H24O3/c1-3-4-13-5-7-14(8-6-13)17(18)20-16-11-9-15(19-2)10-12-16/h9-14H,3-8H2,1-2H3
InChI Key	YOMOGIXKVWWEHG-UHFFFAOYSA-N
MDL Number	MFCD11053431
Molecular Formula	C17H24O3
Molecular Weight	276.3707
SMILES	O=C(C1CCC(CCC)CC1)OC2=CC=C(OC)C=C2
Synonyms	67589-38-2, 4-Methoxyphenyl 4-propylcyclohexanecarboxylate, Cyclohexanecarboxylic acid, 4-propyl-, 4-methoxyphenyl ester, trans-, MFCD11053431, (4-methoxyphenyl) 4-propylcyclohexane-1-carboxylate, TRANS-4-METHOXYPHENYL 4-PROPYLCYCLOHEXANECARBOXYLATE, Cyclohexanecarboxylic acid, 4-propyl-, 4-methoxyphenyl ester, AC1L30QQ, AC1Q61D2, SCHEMBL7900545, SCHEMBL7900546, SCHEMBL13433686, CTK1H6936, CTK5C6383, KS-00000LIF, 4-METHOXYPHENYL TRANS-4-PROPYLCYCLOHEXANECARBOXYLATE, YOMOGIXKVWWEHG-UHFFFAOYSA-N, ZINC5819839, AKOS015918086, TRANS-4-PROPYL-CYCLOHEXANECARBOXYLIC ACID 4-METHOXY-PHENYL ESTER, ZINC100021398, ZINC255190653, CS-W014571, AK307555, AS-30764, DS-11402, 4-Methoxyphenyl 4-n-propylcyclohexanecarboxylate, 4-Methoxyphenyl 4-propylcyclohexanecarboxylate #, I14-9113, 4beta-Propyl-1alpha-cyclohexanecarboxylic acid p-methoxyphenyl ester, Cyclohexanecarboxylicacid, 4-propyl-, 4-methoxyphenyl ester, trans-, 67679-48-5, AR-1G3225, CID106715, C17-H24-O3, 68298-22-6,

Complexity	287
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	276.173g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	276.376g/mol
Monoisotopic Mass	276.173g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	35.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.1

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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