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175463-32-8 | 1-Boc-3-cyano-4-oxopyrrolidine
CAS No: 175463-32-8 Catalog No: AG0032OQ MDL No:MFCD01318456
Product Description
Catalog Number:
AG0032OQ
Chemical Name:
1-Boc-3-cyano-4-oxopyrrolidine
CAS Number:
175463-32-8
Molecular Formula:
C10H14N2O3
Molecular Weight:
210.2298
MDL Number:
MFCD01318456
IUPAC Name:
tert-butyl 3-cyano-4-oxopyrrolidine-1-carboxylate
InChI:
InChI=1S/C10H14N2O3/c1-10(2,3)15-9(14)12-5-7(4-11)8(13)6-12/h7H,5-6H2,1-3H3
InChI Key:
RKUQLKRPWWYRIG-UHFFFAOYSA-N
SMILES:
N#CC1CN(CC1=O)C(=O)OC(C)(C)C
EC Number:
700-004-9
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.1g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.233g/mol
Monoisotopic Mass:
210.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Literature
| Title | Journal |
|---|---|
| tert-Butyl 3-amino-2-methyl-6,7-dihydro-2H-pyrazolo[4,3-c]pyridine-5(4H)-carboxyl-ate. | Acta crystallographica. Section E, Structure reports online 20100501 |
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