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1250994-55-8 | O4-tert-ButylO3a-ethyl1,2,3,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole-3a,4-dicarboxylate-B14382
CAS No: 1250994-55-8 Catalog No: AG000N55 MDL No:
Product Description
Catalog Number:
AG000N55
Chemical Name:
O4-tert-ButylO3a-ethyl1,2,3,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole-3a,4-dicarboxylate-B14382
CAS Number:
1250994-55-8
Molecular Formula:
C14H24N2O4
Molecular Weight:
284.3514
IUPAC Name:
4-O-tert-butyl 3a-O-ethyl 1,2,3,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole-3a,4-dicarboxylate
InChI:
InChI=1S/C14H24N2O4/c1-5-19-11(17)14-7-8-15-10(14)6-9-16(14)12(18)20-13(2,3)4/h10,15H,5-9H2,1-4H3
InChI Key:
QLPXWVCIJGAGHW-UHFFFAOYSA-N
SMILES:
CCOC(=O)C12CCNC1CCN2C(=O)OC(C)(C)C
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.174g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
284.356g/mol
Monoisotopic Mass:
284.174g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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