AG00IC3O

7077-05-6 | Cyclohexanecarboxylic acid, 4-(1-methylethyl)-, trans-

AG00IC3O

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CAS Number	7077-05-6
Catalog Number	AG00IC3O(AGN-PC-0OGXOC)
Chemical Name	Cyclohexanecarboxylic acid, 4-(1-methylethyl)-, trans-
IUPAC Name	4-propan-2-ylcyclohexane-1-carboxylic acid
InChI	InChI=1S/C10H18O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h7-9H,3-6H2,1-2H3,(H,11,12)
InChI Key	YRQKWRUZZCBSIG-UHFFFAOYSA-N
MDL Number	MFCD04004145
Molecular Formula	C10H18O2
Molecular Weight	170.2487
SMILES	O=C([C@H]1CC[C@H](C(C)C)CC1)O
Synonyms	7077-05-6, trans-4-Isopropylcyclohexanecarboxylic acid, 62067-45-2, 4-Isopropylcyclohexanecarboxylic acid, trans-4-Isopropylcyclohexane carboxylic acid, Isopropyl-cyclohexanecarboxylic acid, 7084-93-7, hexahydrocumic acid, cis-4-Isopropylcyclohexanecarboxylic acid, P-isopropylhexahydrobenzoic acid, Cyclohexanecarboxylic acid, 4-(1-methylethyl)-, 4-propan-2-ylcyclohexane-1-carboxylic acid, trans-4-Isopropylcyclohexyl carboxylic acid, Cyclohexanecarboxylic acid, 4-(1-methylethyl)-, trans-, Cyclohexanecarboxylic acid, 4-isopropyl-, trans-4-(1-methylethyl)cyclohexane carboxylic acid, 4-isopropylcyclohexane carboxylic acid, Cyclohexanecarboxylic acid, 4-(1-methylethyl)-, cis-, AK-29455, trans-4-isopropylcyclohexylcarboxylic acid, trans-p-isopropylcyclohexanecarboxylic acid, trans 4-Isopropylcyclohexanecarboxylic acid, trans-4-(1-methylethyl)cyclohexanecarboxylic acid, Cyclohexanecarboxylicacid, 4-(1-methylethyl)-, cis-, (1r,4r)-4-(propan-2-yl)cyclohexane-1-carboxylic acid, 4-Isopropylcyclohexanecarboxylic Acid (cis- and trans- mixture), 4-(methylethyl)cyclohexanecarboxylic acid, EINECS 230-385-2, NSC 124041, PubChem2494, PubChem6063, AC1Q5TUY, trans-4-isopropyl cyclohexane carboxylic acid, ACMC-2097km, Cyclohexanecarboxylic acid, 4-isopropyl-, cis-, AC1L31IJ, trans-p-Menthan-7-oic acid, KSC269O9N, KSC378S2F, SCHEMBL824154, 4-isopropylcyclohexanecarboxylic, SCHEMBL1692318, 4-Isopropylhexahydrobenzoic acid, SCHEMBL10270877, SCHEMBL13917841, SCHEMBL14620731, CTK2H7732, CTK2H8922, KS-00000FAA, YRQKWRUZZCBSIG-KYZUINATSA-N, YRQKWRUZZCBSIG-UHFFFAOYSA-N, NSC28951, ZINC6130108, EINECS 230-375-8, 8509AE, ANW-14084, CI-079, MFCD01734696, MFCD04004145, MFCD19706019, NSC-28951, NSC124041, SBB008598, STK661653, 4-iso-Propylcyclohexanecarboxylic acid, AKOS004093386, AKOS006344479, ZINC100003956, ZINC100805237, 4-isopropyl cyclohexane carboxylic acid, AC-4554, CS-W023032, FR-2309, GS-3182, MCULE-2003543384, NSC-124041, RL04711, RP23271, VZ33921, VZ33943, AJ-55902, AN-39153, AS-10826, BC209985, BC219006, BR-29455, CC-35215, LS-56704, SC-06443, SC-16838, SY031424, 4-(propan-2-yl)cyclohexanecarboxylic acid, DB-055449, DB-073045, ST2414012, TC-063594, TL8002236, trans-4-isopropyl-cyclohexanecarboxylic acid, AM20070511, FT-0627010, FT-0636350, I0664, I0874, ST50828329, trans-4-iso-propylcyclo-hexanecarboxylic acid, (1r,4r)-4-isopropylcyclohexanecarboxylic acid, 4-(propan-2-yl)cyclohexane-1-carboxylic acid, MFCD04004145 (97%), A25074, cis-4-Isopropylcyclohexanecarboxylic acid, 97%, EN300-116591, M-8907, Cyclohexanecarboxylic acid, 4-isopropyl-, trans-, (1r,4r)-4-isopropylcyclohexane-1-carboxylic acid, 067I452, 4alpha-Isopropylcyclohexane-1alpha-carboxylic acid, A1-00910, I04-0918, I14-0547, W-104541, Cyclohexanecarboxylicacid, 4-(1-methylethyl)-, trans-, F2191-0123, Z1696844472, (1?,4?)-4-(1-Methylethyl)cyclohexanecarboxylic acid;trans-p-Menthan-7-oic acid;trans-4-Isopropylcyclohexanecarboxylic;4-propan-2-ylcyclohexane-1-carboxylic acid, Nateglinide Impurity A, C10H18O2, Isopropyl-cyclohexanecarboxylicacid, CID81526, AR-1J1752, C10-H18-O2, CB10079, CS-O-31132, 1-Isopropyl-piperidine-4-carboxylic acid, trans-4-iso-Propylcyclohexanecarboxylic acid, TRANS-4-ISOPROPYLCYCLOHEXANECARBOXYLICACID, 280771-97-3, 7479-05-2, ICC,

Complexity	155
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	170.131g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	170.252g/mol
Monoisotopic Mass	170.131g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number