AG005ALM

73873-61-7 | trans-4-Methoxycyclohexanecarboxylic acid

AG005ALM

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CAS Number	73873-61-7
Catalog Number	AG005ALM(AGN-PC-0OHCW3)
Chemical Name	trans-4-Methoxycyclohexanecarboxylic acid
IUPAC Name	4-methoxycyclohexane-1-carboxylic acid
InChI	InChI=1S/C8H14O3/c1-11-7-4-2-6(3-5-7)8(9)10/h6-7H,2-5H2,1H3,(H,9,10)
InChI Key	WKILSRYNRQGRMA-UHFFFAOYSA-N
MDL Number	MFCD20488929
Molecular Formula	C8H14O3
Molecular Weight	158.1950
SMILES	O=C([C@H]1CC[C@H](OC)CC1)O
Synonyms	4-METHOXYCYCLOHEXANECARBOXYLIC ACID, 95233-12-8, 73873-61-7, trans-4-methoxycyclohexanecarboxylic acid, 4-methoxycyclohexane-1-carboxylic Acid, 73873-59-3, cis-4-methoxycyclohexane-1-carboxylic acid, trans-4-methoxycyclohexane-1-carboxylic acid, Cyclohexanecarboxylic acid, 4-methoxy-, Trans-4-methoxycyclohexane carboxylic acid, WKILSRYNRQGRMA-UHFFFAOYSA-N, 4-methoxy-cyclohexanecarboxylic acid, AK173632, (1S,4s)-4-methoxycyclohexanecarboxylic acid, Cyclohexanecarboxylic acid, 4-methoxy-, trans-, AC1LEHHC, AC1Q4FEE, 4-Methoxycyclohexanoic acid, SCHEMBL322695, SCHEMBL1979948, SCHEMBL2444574, SCHEMBL13088445, SCHEMBL19501517, CTK2H0825, CTK3I5993, WKILSRYNRQGRMA-KNVOCYPGSA-N, WKILSRYNRQGRMA-LJGSYFOKSA-N, 4-methoxycylcohexanecarboxylic acid, ZINC155917, 4-methoxycyclohexane carboxylic acid, KS-00003T3Q, Cyclohexanecarboxylicacid,4-methoxy-, 4-methoxy-cyclohexane carboxylic acid, 6374AC, MFCD00074992, MFCD20488929, MFCD27928131, SBB053474, Cyclohexanecarboxylicacid, 4-methoxy-, AKOS015894344, AKOS025396091, cis-4-methoxycyclohexanecarboxylic acid, ZINC117692953, ZINC118912170, DS-8521, MCULE-7855539599, NE55975, SB15660, SB15661, SB15662, KS-000005Y3, KS-000005Y4, AJ-13646, AS-52811, cis-4-methoxycyclohexane-1-carboxylicacid, Cyclohexanecarboxylicacid,4-methoxy-,cis-, DA-41523, QC-11326, SC-68770, TS-02102, AB0098396, CS-0049674, CS-0054432, FT-0646765, FT-0731100, ST24043865, ST50949658, Cyclohexanecarboxylic acid, 4-methoxy-, cis-, 4alpha-Methoxycyclohexane-1beta-carboxylic acid, (1s,4s)-4-Methoxycyclohexane-1-carboxylic acid, 58400-EP2305682A1, 58400-EP2308879A1, I04-9544, Z2510258198, 4-Methoxycyclohexanecarboxylic acid, mixture of cis and trans, 4-Methoxycyclohexanecarboxylic acid, mixture of cis and trans, 97%, C8H14O3, 4-METHOXYCYCLOHEXANECARBOXYLICACID, CID736153, cis-4-methoxy-cyclohexanecarboxylic acid,

Complexity	136
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	158.094g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	158.197g/mol
Monoisotopic Mass	158.094g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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