AG00HFSU

120871-73-0 | 1-Pyrrolidinecarboxylic acid, 3-oxo-4-(2-propenyl)-, 1,1-dimethylethylester

AG00HFSU

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CAS Number	120871-73-0
Catalog Number	AG00HFSU(AGN-PC-0PF9EN)
Chemical Name	1-Pyrrolidinecarboxylic acid, 3-oxo-4-(2-propenyl)-, 1,1-dimethylethylester
IUPAC Name	tert-butyl 3-oxo-4-prop-2-enylpyrrolidine-1-carboxylate
InChI	InChI=1S/C12H19NO3/c1-5-6-9-7-13(8-10(9)14)11(15)16-12(2,3)4/h5,9H,1,6-8H2,2-4H3
InChI Key	FMKOLWIQHDLUPE-UHFFFAOYSA-N
MDL Number	MFCD27923656
Molecular Formula	C12H19NO3
Molecular Weight	225.2842
SMILES	C=CCC1CN(C(=O)OC(C)(C)C)CC1=O
Synonyms	tert-butyl 3-allyl-4-oxopyrrolidine-1-carboxylate, 120871-73-0, tert-butyl 3-oxo-4-(prop-2-en-1-yl)pyrrolidine-1-carboxylate, SCHEMBL2723574, FMKOLWIQHDLUPE-UHFFFAOYSA-N, MFCD27923656, AKOS022178057, FCH2898166, AK145471, AM807553, AS-32314, AX8269345, CS-0046750, 1-Boc-4-(prop-2-en-1-yl)pyrrolidin-3-one, KS-00000547, tert-butyl 3-oxo-4-prop-2-enylpyrrolidine-1-carboxylate, 1-Pyrrolidinecarboxylic acid, 3-oxo-4-(2-propenyl)-, 1,1-dimethylethylester,

Complexity	304
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	225.136g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	225.288g/mol
Monoisotopic Mass	225.136g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	46.6A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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