AG000IRV

1194376-31-2 | 1-Pyrrolidinecarboxylic acid, 3-cyano-3-hydroxy-, 1,1-dimethylethyl ester

AG000IRV

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CAS Number	1194376-31-2
Catalog Number	AG000IRV(AGN-PC-07CT01)
Chemical Name	1-Pyrrolidinecarboxylic acid, 3-cyano-3-hydroxy-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl 3-cyano-3-hydroxypyrrolidine-1-carboxylate
InChI	InChI=1S/C10H16N2O3/c1-9(2,3)15-8(13)12-5-4-10(14,6-11)7-12/h14H,4-5,7H2,1-3H3
InChI Key	BNJQQWIFMXEJPB-UHFFFAOYSA-N
MDL Number	MFCD11878020
Molecular Formula	C10H16N2O3
Molecular Weight	212.2456
SMILES	CC(C)(C)OC(=O)N1CCC(O)(C1)C#N
Synonyms	TERT-BUTYL 3-CYANO-3-HYDROXYPYRROLIDINE-1-CARBOXYLATE, 1194376-31-2, TERT-BUTYL3-CYANO-3-HYDROXYPYRROLIDINE-1-CARBOXYLATE, AK-37697, SCHEMBL13993957, CTK4B1290, DTXSID70670496, BNJQQWIFMXEJPB-UHFFFAOYSA-N, 1-Boc-3-cyano-3-hydroxypyrrolidine, 3331AA, ANW-66594, MFCD11878020, AKOS015898215, CS-W007245, FCH1628793, RP26679, AM803024, BBV-45005081, DS-12783, AX8163714, TC-155339, I11-0516, J-524834, S11-0062, 3-Cyano-3-hydroxy-pyrrolidine-1-carboxylic acid tert-butyl ester, 1-Pyrrolidinecarboxylic acid, 3-cyano-3-hydroxy-, 1,1-dimethylethyl ester, C10H16N2O3,

Complexity	312
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	212.116g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	212.249g/mol
Monoisotopic Mass	212.116g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	73.6A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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