AG00DA6E

4829-14-5 | D-Alanine N-carboxyanhydride

AG00DA6E

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CAS Number	4829-14-5
Catalog Number	AG00DA6E(AGN-PC-0OATZP)
Chemical Name	D-Alanine N-carboxyanhydride
IUPAC Name	(4R)-4-methyl-1,3-oxazolidine-2,5-dione
InChI	InChI=1S/C4H5NO3/c1-2-3(6)8-4(7)5-2/h2H,1H3,(H,5,7)/t2-/m1/s1
InChI Key	DTETYCNJKAUROO-UWTATZPHSA-N
MDL Number	MFCD03411277
Molecular Formula	C4H5NO3
Molecular Weight	115.0874
SMILES	O=C(N[C@@H]1C)OC1=O
Synonyms	(R)-4-Methyloxazolidine-2,5-dione, 4829-14-5, D-Ala-NCA, (R)-4-Methyl-oxazolidine-2,5-dione, MFCD03411277, AC1MC1MA, (4R)-4-methyl-1,3-oxazolidine-2,5-dione, D-Alanine N-carboxyanhydride, SCHEMBL16317106, CTK7H5230, KS-00000RF6, FCH847252, ZINC60273595, (4R)-4-Methyloxazolidine-2,5-dione, DS-6751, AX8251613, DB-016744, FT-0698464, NSC524103, ACN-029385, CID2759968,

Complexity	142
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	115.027g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	115.088g/mol
Monoisotopic Mass	115.027g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	55.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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