AG003W7W

99799-09-4 | 2-(4-Hydroxycyclohexyl)acetic acid

AG003W7W

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CAS Number	99799-09-4
Catalog Number	AG003W7W(AGN-PC-0NJYFO)
Chemical Name	2-(4-Hydroxycyclohexyl)acetic acid
IUPAC Name	2-(4-hydroxycyclohexyl)acetic acid
InChI	InChI=1S/C8H14O3/c9-7-3-1-6(2-4-7)5-8(10)11/h6-7,9H,1-5H2,(H,10,11)
InChI Key	ALTAAUJNHYWOGS-UHFFFAOYSA-N
MDL Number	MFCD13659403
Molecular Formula	C8H14O3
Molecular Weight	158.1950
SMILES	O=C(O)CC1CCC(O)CC1
Synonyms	4-hydroxycyclohexylacetic acid, 2-(4-Hydroxycyclohexyl)acetic acid, 99799-09-4, trans-2-(4-Hydroxycyclohexyl)acetic acid, 4-hydroxycyclohexylacetic acid, 68592-23-4, cis-2-(4-Hydroxycyclohexyl)acetic acid, 2-(Cis-4-hydroxycyclohexyl)acetic acid, cis-4-Hydroxycyclohexylacetic acid, (4-Hydroxycyclohexyl)acetic acid, Cyclohexaneacetic acid, 4-hydroxy-, (4-hydroxy-cyclohexyl)-acetic acid, trans-4-Hydroxycyclohexylacetic acid, ACMC-20egwx, Cyclohexaneacetic acid, 4-hydroxy-, trans-, 4-Hydroxycyclohexylacetate, cis-4-Hydroxycyclohexylacetate, SCHEMBL338555, 4-Hydroxy-cyclohexylessigsaeure, SCHEMBL1861522, SCHEMBL2255221, trans-4-Hydroxycyclohexylacetate, CHEBI:88508, CHEBI:89344, CTK5I0698, CTK8E5746, CTK8E6468, KS-00000RVJ, ALTAAUJNHYWOGS-KNVOCYPGSA-N, ALTAAUJNHYWOGS-UHFFFAOYSA-N, (4-hydroxycyclohexyl)ethanoic acid, (4-hydroxycyclo-hexyl)ethanoic acid, cis-4-hydroxycyclohexane acetic cid, cis-4-hydroxycyclohexane acetic acid, MFCD13659403, ZINC12493904, AKOS015855457, AKOS015855458, AKOS022173422, ZINC100113204, ZINC100395869, 4-hydroxy-cyclohexyl Acetic acid ester, CS-W021411, DS-7458, RTX-012701, RTX-012702, trans-(4-Hydroxycyclohexyl)acetic acid, AJ-62422, AK141945, SC-49645, AB0062996, RT-025065, ST2403962, 4CH-017529, FT-0084607, FT-0660293, L-2206, W-4548, M112063, M112064, M112065, A1-01900, F2147-4251, CIS-2-(4-HYDROXYCYCLOHEXYL)ACETIC ACID ??CIS-2-(4-HYDROXYCYCLOHEXYL)ACETIC ACID, (4-hydroxycyclohexyl) acetate, 4-Hydroxycyclohexyl acetate, Fmoc-Asp(OtBu)-Wang resin, 4-hydroxy-Cyclohexaneacetic acid, (trans-4-Hydroxycyclohexyl)acetic acid, (cis-4-hydroxycyclohexyl)acetic acid, 68592-22-3, ACN-029004,

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	2
Isotope Atom Count	0
Molecular Weight	158.197g/mol
Monoisotopic Mass	158.094g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	57.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

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