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Home > Pyridines > 441297-78-5
441297-78-5 | (3aR,7aR)-rel-5-Boc-hexahydro-1-oxo-furo[3,4-c]pyridine
CAS No: 441297-78-5 Catalog No: AG00DOIP MDL No:MFCD22421684
Product Description
Catalog Number:
AG00DOIP
Chemical Name:
(3aR,7aR)-rel-5-Boc-hexahydro-1-oxo-furo[3,4-c]pyridine
CAS Number:
441297-78-5
Molecular Formula:
C12H19NO4
Molecular Weight:
241.2836
MDL Number:
MFCD22421684
IUPAC Name:
tert-butyl (3aR,7aR)-1-oxo-3,3a,4,6,7,7a-hexahydrofuro[3,4-c]pyridine-5-carboxylate
InChI:
InChI=1S/C12H19NO4/c1-12(2,3)17-11(15)13-5-4-9-8(6-13)7-16-10(9)14/h8-9H,4-7H2,1-3H3/t8-,9-/m1/s1
InChI Key:
GOGIONPWBODBEY-RKDXNWHRSA-N
SMILES:
O=C1OC[C@@H]2[C@H]1CCN(C2)C(=O)OC(C)(C)C
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
241.131g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.287g/mol
Monoisotopic Mass:
241.131g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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