AG00EED3

6149-52-6 | ETHYL CIS-2-HYDROXY-1-CYCLOHEXANECARBOXYLATE, 98

AG00EED3

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CAS Number	6149-52-6
Catalog Number	AG00EED3(AGN-PC-0T0LS9)
Chemical Name	ETHYL CIS-2-HYDROXY-1-CYCLOHEXANECARBOXYLATE, 98
IUPAC Name	ethyl (1R,2S)-2-hydroxycyclohexane-1-carboxylate
InChI	InChI=1S/C9H16O3/c1-2-12-9(11)7-5-3-4-6-8(7)10/h7-8,10H,2-6H2,1H3/t7-,8+/m1/s1
InChI Key	WOGRTPJVNNCUKN-SFYZADRCSA-N
MDL Number	MFCD00144282
Molecular Formula	C9H16O3
Molecular Weight	172.2215
SMILES	O=C([C@H]1[C@@H](O)CCCC1)OCC
Synonyms	6149-52-6, cis-Ethyl 2-hydroxycyclohexanecarboxylate, 61586-78-5, (1R,2S)-Ethyl 2-hydroxycyclohexanecarboxylate, CIS-ETHYL 2-HYDROXY-CYCLOHEXANECARBOXYLATE, Ethyl (1R,2S)-cis-2-hydroxycyclohexanecarboxylate, ethyl (1R,2S)-2-hydroxycyclohexane-1-carboxylate, AK173002, AC1LOR37, Cis-2-Hydroxy-cyclohexanecarboxylic acid ethyl ester, SCHEMBL3343793, CTK5B3328, 29569-79-7, KS-00000T1W, ZINC1081421, MFCD00144282, AKOS025117426, DS-8204, FCH3773369, FCH3937906, AJ-24956, ZB015944, AX8127726, Ethyl (1R,2S)-cis-2-hydroxy-cyclohexanoate, FT-0694991, ST24033572, ST50307321, ethyl (2S,1R)-2-hydroxycyclohexanecarboxylate, ethyl ((1r,2s)-cis-2-hydroxycyclohexanecarboxylate, S14-2263, (1beta)-2beta-Hydroxycyclohexanecarboxylic acid ethyl ester, Cyclohexanecarboxylic acid, 2-hydroxy-, ethyl ester, (1R,2S)-rel-, CYCLOHEXANECARBOXYLICACID, 2-HYDROXY-, ETHYL ESTER, (1R,2S)-, CID1268214, Ethyl 2-hydroxy-1-cyclohexane carboxylate, Ethyl cis-2-hydroxy-1-cyclohexanecarboxylate, ETHYL -CIS-2-HYDROXYCYCLOHEXANECARBOXYLATE, Ethyl (1S,2S)-trans-2-hydroxycyclohexanecarboxylate, 2-Hydroxy-cyclohexanecarboxylic acid ethyl ester, cis, ETHYLCIS-2-HYDROXY-1-CYCLOHEXANECARBOXYLATE,98,

Complexity	156
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	172.11g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	172.224g/mol
Monoisotopic Mass	172.11g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

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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