AG003RSG

37722-82-0 | METHYL 3-HYDROXYCYCLOHEXANECARBOXYLATE

AG003RSG

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CAS Number	37722-82-0
Catalog Number	AG003RSG(AGN-PC-0CO1V1)
Chemical Name	METHYL 3-HYDROXYCYCLOHEXANECARBOXYLATE
IUPAC Name	methyl 3-hydroxycyclohexane-1-carboxylate
InChI	InChI=1S/C8H14O3/c1-11-8(10)6-3-2-4-7(9)5-6/h6-7,9H,2-5H2,1H3
InChI Key	OXQRLBFDJMSRMM-UHFFFAOYSA-N
MDL Number	MFCD11975826
Molecular Formula	C8H14O3
Molecular Weight	158.1950
SMILES	O=C(C1CC(O)CCC1)OC
Synonyms	Methyl 3-hydroxycyclohexanecarboxylate, 37722-82-0, methyl 3-hydroxycyclohexane-1-carboxylate, Cyclohexanecarboxylic acid, 3-hydroxy-, methyl ester, Methyl3-hydroxycyclohexanecarboxylate, (1R,3S)-Methyl 3-hydroxycyclohexanecarboxylate, 70144-91-1, (1S,3S)-Methyl 3-hydroxycyclohexanecarboxylate, ACMC-20i7rq, methyl (1s,3r)-3-hydroxycyclohexane-1-carboxylate, rel-(1R,3R)-Methyl 3-hydroxycyclohexanecarboxylate, SCHEMBL2408492, CTK1A9391, DTXSID70480537, OXQRLBFDJMSRMM-UHFFFAOYSA-N, 149055-86-7, 99438-47-8, 99438-48-9, KS-000002GU, MFCD11975826, methyl-3-hydroxycyclohexanecarboxylate, AKOS015995202, MCULE-7531952837, NE17858, RP22186, AK208815, SC-14620, SY028664, FT-0704181, MFCD11975826 (95%), Cyclohexanecarboxylicacid,3-hydroxy-,methylester, racemic methyl 3-hydroxycyclohexane-1-carboxylate, J-522672, Z1795826601, (1R,3R)-Methyl 3-hydroxycyclohexanecarboxylate, methyl (1R,3S)-3-hydroxycyclohexane-1-carboxylate, 6125-56-0, 6183-54-6,

Complexity	144
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	2
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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