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130658-14-9 | Cyclopenta[c]pyrrole-2(1H)-carboxylic acid, hexahydro-4-oxo-, 1,1-dimethylethyl ester, (3aR,6aS)-rel-
CAS No: 130658-14-9 Catalog No: AG000UR9 MDL No:MFCD12198688
Product Description
Catalog Number:
AG000UR9
Chemical Name:
Cyclopenta[c]pyrrole-2(1H)-carboxylic acid, hexahydro-4-oxo-, 1,1-dimethylethyl ester, (3aR,6aS)-rel-
CAS Number:
130658-14-9
Molecular Formula:
C12H19NO3
Molecular Weight:
225.2842
MDL Number:
MFCD12198688
IUPAC Name:
tert-butyl 4-oxo-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylate
InChI:
InChI=1S/C12H19NO3/c1-12(2,3)16-11(15)13-6-8-4-5-10(14)9(8)7-13/h8-9H,4-7H2,1-3H3
InChI Key:
MZQZNAQWIOWKSR-UHFFFAOYSA-N
SMILES:
O=C(N1C[C@H]2[C@@H](C1)CCC2=O)OC(C)(C)C
Properties
Complexity:
319
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:
2
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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