AG001FB5

147959-18-0 | 3-Oxazolidinecarboxylic acid, 4-(2-hydroxyethyl)-2,2-dimethyl-, 1,1-dimethylethyl ester, (4S)-

AG001FB5

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CAS Number	147959-18-0
Catalog Number	AG001FB5(AGN-PC-0Q14DR)
Chemical Name	3-Oxazolidinecarboxylic acid, 4-(2-hydroxyethyl)-2,2-dimethyl-, 1,1-dimethylethyl ester, (4S)-
IUPAC Name	tert-butyl (4S)-4-(2-hydroxyethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
InChI	InChI=1S/C12H23NO4/c1-11(2,3)17-10(15)13-9(6-7-14)8-16-12(13,4)5/h9,14H,6-8H2,1-5H3/t9-/m0/s1
InChI Key	ZJICPKTZDLBRQH-VIFPVBQESA-N
MDL Number	MFCD08234429
Molecular Formula	C12H23NO4
Molecular Weight	245.3153
SMILES	O=C(N1C(C)(C)OC[C@@H]1CCO)OC(C)(C)C
Synonyms	147959-18-0, (S)-TERT-BUTYL 4-(2-HYDROXYETHYL)-2,2-DIMETHYLOXAZOLIDINE-3-CARBOXYLATE, (S)-N-BOC-4-(2-HYDROXYETHYL)-2,2-DIMETHYLOXAZOLIDINE, 3-Oxazolidinecarboxylicacid, 4-(2-hydroxyethyl)-2,2-dimethyl-, 1,1-dimethylethyl ester, (4S)-, SCHEMBL1068504, CTK4C5640, ZJICPKTZDLBRQH-VIFPVBQESA-N, 4854AJ, MFCD08234429, ZINC34522514, AKOS016012997, FCH4052147, MB05412, AJ-89088, AS-36967, CJ-18441, AX8049279, FT-0771351, Z-3603, (4S)-2,2-Dimethyl-3-(tert-butoxycarbonyl)oxazolidine-4beta-ethanol, (R)-Tert-butyl4-(2-hydroxyethyl)-2,2-dimethyloxazolidine-3-carboxylate, (S)-N-tert -butoxycarbonyl-4-(2-hydroxy)ethyl-2,2-dimethyloxazolidine, tert-butyl (S)-4-(2-hydroxyethyl)-2,2-dimethyl-oxazolidine-3-carboxylate, tert-butyl (S)-4-(2-hydroxyethyl)-2,2-dimethyloxazolidine-3-carboxylate, tert-butyl(S)-4-(2-hydroxyethyl)-2,2-dimethyloxazolidine-3-carboxylate, (S)-4-(2-Hydroxy-ethyl)-2,2-dimethyl-oxazolidine-3-carboxylic acid t-butyl ester, (S)-4-(2-HYDROXY-ETHYL)-2,2-DIMETHYL-OXAZOLIDINE-3-CARBOXYLIC ACID TERT-BUTYL ESTER, 3-Oxazolidinecarboxylic acid, 4-(2-hydroxyethyl)-2,2-dimethyl-, 1,1-dimethylethyl ester, (4S)-, C12H23NO4, CID10847957, (S)-3-BOC-2,2-DIMETHYLOXAZOLIDINE-4-ETHANOL, (S)-tert-Butyl4-(2-hydroxyethyl)-2,2-dimethyloxazolidine-3-carboxylate, Tert-butyl (4R)-4-(2-hydroxyethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate,

Complexity	283
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	245.163g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	245.319g/mol
Monoisotopic Mass	245.163g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	59A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

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