AG003CDT

97534-82-2 | (S)-(-)-3-Z-4-Oxazolidinecarboxylic acid

AG003CDT

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CAS Number	97534-82-2
Catalog Number	AG003CDT(AGN-PC-0OOO06)
Chemical Name	(S)-(-)-3-Z-4-Oxazolidinecarboxylic acid
IUPAC Name	(4S)-3-phenylmethoxycarbonyl-1,3-oxazolidine-4-carboxylic acid
InChI	InChI=1S/C12H13NO5/c14-11(15)10-7-17-8-13(10)12(16)18-6-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,14,15)/t10-/m0/s1
InChI Key	XRRRGBIMHQARMF-JTQLQIEISA-N
MDL Number	MFCD00274193
Molecular Formula	C12H13NO5
Molecular Weight	251.2353
SMILES	O=C([C@H]1N(C(OCC2=CC=CC=C2)=O)COC1)O
Synonyms	97534-82-2, (S)-3-((Benzyloxy)carbonyl)oxazolidine-4-carboxylic acid, (S)-(-)-3-Z-4-OXAZOLIDINECARBOXYLIC ACID, MFCD00274193, (S)-(-)-3-(Benzyloxycarbonyl)-4-oxazolidinecarboxylic acid, (S)3-(benzyloxycarbonyl)oxazolidine-4-carboxylic acid, (4S)-3-[(Benzyloxy)carbonyl]-1,3-oxazolidine-4-carboxylic acid, (S)-CBZ-Oxaproline, AC1LELUL, AC1Q71BQ, SCHEMBL628051, S-N-Benzyloxycarbonyl-oxaproline, CTK5H9383, ZINC57091, DTXSID60350876, XRRRGBIMHQARMF-JTQLQIEISA-N, 4394AH, KM3447, AKOS015889181, FCH2715019, OC-0191, AJ-09572, AK142172, OR316041, AX8048101, TC-061493, ST51038437, (4S)-3-benzyloxycarbonyloxazolidine-4-carboxylic acid, (S)-(+)-3-CBZ-4-OXAZOLIDINECARBOXYLIC ACID, (S)-Oxazolidine-3,4-dicarboxylic acid 3-benzyl ester, I01-16736, (4S)-3-(Benzyloxycarbonyl)oxazolidine-4-carboxylic acid, (s)-3-(benzyloxycarbonyl)oxazolidine-4-carboxylic acid, (S)-(+)-3-Benzyloxycarbonyl-4-oxazolidinecarboxylic acid, (4S)-3-[benzyloxycarbonyl]-1,3-oxazolidine-4-carboxylic acid, (4S)-3-phenylmethoxycarbonyl-1,3-oxazolidine-4-carboxylic acid, (S)-(-)-3-(Benzyl-Oxycarbonyl)-4-Oxazolidinecarboxylic Acid, (S)-(-)-3-(Benzyloxycarbonyl)-4-oxazolidinecarboxylic acid, 98%, N-Cbz-(S)-oxaproline, C12H13NO5, CID688328, NSC146112, - -3-Z-4-OXAZOLIDINECARBOXYLICACID, (S)-(-)-3-Z-4-OXAZOLIDINECARBOXYLICACID, (S)-(-)-3-Cbz-4-oxazolidinecarboxylic acid, 98% - 1G 1g,

Complexity	314
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	251.079g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	251.238g/mol
Monoisotopic Mass	251.079g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	76.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

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

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