AG001ZPC

17449-76-2 | Cyclohexanecarboxylic acid, 4-hydroxy-, methyl ester

AG001ZPC

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CAS Number	17449-76-2
Catalog Number	AG001ZPC(AGN-PC-0JLWL6)
Chemical Name	Cyclohexanecarboxylic acid, 4-hydroxy-, methyl ester
EC Number	241-464-6
IUPAC Name	methyl 4-hydroxycyclohexane-1-carboxylate
InChI	InChI=1S/C8H14O3/c1-11-8(10)6-2-4-7(9)5-3-6/h6-7,9H,2-5H2,1H3
InChI Key	HYDYVXROZHFTGB-UHFFFAOYSA-N
MDL Number	MFCD00729087
Molecular Formula	C8H14O3
Molecular Weight	158.1950
SMILES	O=C(C1CCC(O)CC1)OC
Synonyms	Methyl 4-hydroxycyclohexanecarboxylate, 17449-76-2, 6125-57-1, Methyl trans-4-Hydroxycyclohexanecarboxylate, trans-Methyl 4-hydroxycyclohexanecarboxylate, Methyl cis-4-hydroxycyclohexanecarboxylate, 3618-03-9, cis-methyl 4-hydroxycyclohexanecarboxylate, TRANS-METHYL4-HYDROXYCYCLOHEXANECARBOXYLATE, methyl 4-hydroxycyclohexane-1-carboxylate, Cyclohexanecarboxylic acid, 4-hydroxy-, methyl ester, cis-, HYDYVXROZHFTGB-UHFFFAOYSA-N, Cyclohexanecarboxylic acid, 4-hydroxy-, methyl ester, Cyclohexanecarboxylic acid, 4-hydroxy-, methyl ester, trans-, METHYL4-HYDROXYCYCLOHEXANECARBOXYLATE, cis-4-Hydroxy-cyclohexanecarboxylic acid methyl ester, EINECS 241-464-6, PubChem18773, ACMC-209mqk, AC1L3CZF, Hydroxycyclohexanecarboxylic acid methyl ester, ACMC-209e8a, Cyclohexanecarboxylicacid,4-hydroxy-,methylester, KSC497I0N, SCHEMBL461058, SCHEMBL461059, SCHEMBL603276, SCHEMBL765709, AC1Q5Z99, SCHEMBL12203942, CTK1B0165, CTK3J7406, CTK8B2016, DTXSID70169830, HYDYVXROZHFTGB-KNVOCYPGSA-N, HYDYVXROZHFTGB-LJGSYFOKSA-N, ZINC163396, 4-(Methoxycarbonyl)cyclohexan-1-ol, ANW-22712, ANW-33738, MFCD00729087, MFCD20441962, MFCD20441963, SBB054036, AKOS006228430, AKOS024125214, AKOS024462437, methyl 4-hydroxycyclohexane-carboxylate, ZINC100020415, ZINC114194888, AC-5137, ACN-037140, CS-W002672, CS-W019193, DS-1697, DS-7426, RP22185, SB11016, SB11017, TRA0076642, KS-0000012C, 1-Hydroxy-4-(methoxycarbonyl)cyclohexane, AJ-16029, AK-62912, AK161903, AN-11290, AS-33898, BR-62912, CJ-02084, SC-93954, SY007448, SY026489, TS-02103, ZB007983, methyl cis-4-hydroxycyclohexane carboxylate, AB0022861, AB1000958, DB-043976, ST2413414, TC-111457, TC-122483, 4CH-007484, CS-0048897, FT-0637552, FT-0689644, M1991, ST24050227, W3805, (trans)-methyl 4-hydroxycyclohexanecarboxylate, MFCD20441963 (98%), 4-hydroxycyclohexanecarboxylic acid methyl ester, B-7465, M16790, methyl trans-4-hydroxycyclohexane-1-carboxylate, trans-methyl 4-hydroxycyclohexane-1-carboxylate, MFCD00729087 (97+%), A1-00336, J-010993, J-522683, methyl (1r,4r)-4-hydroxycyclohexane-1-carboxylate, methyl (1s,4s)-4-hydroxycyclohexane-1-carboxylate, trans-4-Hydroxycyclohexanecarboxylic acid, O'-methyl, Cyclohexanecarboxylicacid,4-hydroxy-,methylester,cis-, I14-10128, trans-4-Hydroxycyclohexanecarboxylic Acid Methyl Ester, trans-4-Hydroxy-cyclohexanecarboxylic acid methyl ester, trans-4-Hydroxycyclohexanecarboxylic acid, methyl ester, null, Methyl 4-hydroxybenzoate, C8H14O3, CID87117, AR-1J5441, C8-H14-O3, SC-26196, A3855, 99-76-3, 17804-42-1,

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	0.7

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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