AG000XSX

128117-22-6 | 1-Azetidinecarboxylic acid, 3-hydroxy-, phenylmethyl ester

AG000XSX

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CAS Number	128117-22-6
Catalog Number	AG000XSX(AGN-PC-0MYG0S)
Chemical Name	1-Azetidinecarboxylic acid, 3-hydroxy-, phenylmethyl ester
IUPAC Name	benzyl 3-hydroxyazetidine-1-carboxylate
InChI	InChI=1S/C11H13NO3/c13-10-6-12(7-10)11(14)15-8-9-4-2-1-3-5-9/h1-5,10,13H,6-8H2
InChI Key	XJWSNDGCJMGHSR-UHFFFAOYSA-N
MDL Number	MFCD09037849
Molecular Formula	C11H13NO3
Molecular Weight	207.2258
SMILES	OC1CN(C(OCC2=CC=CC=C2)=O)C1
Synonyms	128117-22-6, 1-Cbz-3-Hydroxyazetidine, Benzyl 3-hydroxyazetidine-1-carboxylate, 1-N-Cbz-3-Hydroxyazetidine, N-cbz-3-hydroxyazetidine, 1-AZETIDINECARBOXYLIC ACID, 3-HYDROXY-, PHENYLMETHYL ESTER, 1-CBZ-3-(HYDROXY)AZETIDINE, 3-HYDROXY-AZETIDINE-1-CARBOXYLIC ACID BENZYL ESTER, 1-benzyloxycarbonyl-3-hydroxyazetidine, ACMC-1CH5T, SCHEMBL603957, AMBZ0205, CTK3J6345, DTXSID30435306, XJWSNDGCJMGHSR-UHFFFAOYSA-N, HT844, CS-M1634, ANW-19054, MFCD09037849, RW3821, ZINC16697518, AKOS012406600, FS-2446, PB27970, QC-3323, RP07393, RTC-065804, TRA0043862, VA80040, AC-26591, AJ-69361, AK-44258, BR-44258, CJ-15603, SC-45674, SY018172, AB0000370, DB-003396, ST2408739, TC-065804, 4CH-016438, AM20020365, FT-0656399, X9721, EN300-80142, MFCD09037849 (97%), A-1708, A26722, 3-Hydroxy-azetidine-1-carboxylic acid benzylester, 3-Hydroxyazetidine-1-carboxylic acid benzyl ester, I14-5775, PHENYLMETHYL 3-HYDROXYAZETIDINE-1-CARBOXYLATE, Q-103132, 128117-22-6 3-Hydroxy-azetidine-1-carboxylic acid benzyl ester, 1-Azetidinecarboxylic acid, cc-169, C11H13NO3, CID10081755, 1-N-Cbz-3-hydroxyazetidine, 98% - 1G 1g, 103-67-3,

Complexity	220
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	207.09g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	207.229g/mol
Monoisotopic Mass	207.09g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	49.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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