AG00I4VO

255882-95-2 | 2-Azetidinecarboxylicacid,1-methyl-,(2S)-

AG00I4VO

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CAS Number	255882-95-2
Catalog Number	AG00I4VO(AGN-PC-0WD7UY)
Chemical Name	2-Azetidinecarboxylicacid,1-methyl-,(2S)-
IUPAC Name	(2S)-1-methylazetidine-2-carboxylic acid
InChI	InChI=1S/C5H9NO2/c1-6-3-2-4(6)5(7)8/h4H,2-3H2,1H3,(H,7,8)/t4-/m0/s1
InChI Key	FDNMFKYCFKRTRC-BYPYZUCNSA-N
MDL Number	MFCD19229294
Molecular Formula	C5H9NO2
Molecular Weight	115.1305
SMILES	O=C([C@H]1N(C)CC1)O
Synonyms	255882-95-2, (S)-1-Methylazetidine-2-carboxylic acid, 2-Azetidinecarboxylic acid, 1-methyl-, (2S)-, (2S)-1-Methyl-2-azetidinecarboxylic acid, (2R)-1-methylazetidine-2-carboxylic acid, SCHEMBL805210, ZINC1757001, MFCD19229294, AKOS006377508, SB13695, AS-48510, CS-0052023, 2-Azetidinecarboxylic acid, 1-methyl-, (2R)-, (2S)-1-METHYLAZETIDINE-2-CARBOXYLIC ACID, 255883-21-7,

Complexity	113
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	115.063g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	115.132g/mol
Monoisotopic Mass	115.063g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	40.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-2.3

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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