AG0096H9

1067239-08-0 | 1-(tert-Butoxycarbonyl)-3-hydroxypyrrolidine-3-carboxylic acid

AG0096H9

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CAS Number	1067239-08-0
Catalog Number	AG0096H9(AGN-PC-0WCJCB)
Chemical Name	1-(tert-Butoxycarbonyl)-3-hydroxypyrrolidine-3-carboxylic acid
IUPAC Name	3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
InChI	InChI=1S/C10H17NO5/c1-9(2,3)16-8(14)11-5-4-10(15,6-11)7(12)13/h15H,4-6H2,1-3H3,(H,12,13)
InChI Key	XHNNDNBNDDXODX-UHFFFAOYSA-N
MDL Number	MFCD15071383
Molecular Formula	C10H17NO5
Molecular Weight	231.2457
SMILES	O=C(C1(O)CN(C(OC(C)(C)C)=O)CC1)O
Synonyms	1067239-08-0, 1-(tert-butoxycarbonyl)-3-hydroxypyrrolidine-3-carboxylic acid, 1-BOC-3-HYDROXYPYRROLIDINE-3-CARBOXYLIC ACID, 1-[(tert-butoxy)carbonyl]-3-hydroxypyrrolidine-3-carboxylic acid, 3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid, SCHEMBL571118, MFCD15071383, AKOS022178275, CS-W004162, DS-8109, PB28552, KS-0000077U, AK145462, AM807583, AB0072413, Q-2370,

Complexity	309
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	231.111g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	231.248g/mol
Monoisotopic Mass	231.111g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	87.1A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0

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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