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1434128-61-6 | 5-BOC-3-HYDROXY-2-(TETRAHYDROPYRAN-4-YL)-2,4,5,6-TETRAHYDROPYRROLO[3,4-C]PYRAZOLE
CAS No: 1434128-61-6 Catalog No: AG003MF9 MDL No:MFCD24842548
Product Description
Catalog Number:
AG003MF9
Chemical Name:
5-BOC-3-HYDROXY-2-(TETRAHYDROPYRAN-4-YL)-2,4,5,6-TETRAHYDROPYRROLO[3,4-C]PYRAZOLE
CAS Number:
1434128-61-6
Molecular Formula:
C15H23N3O4
Molecular Weight:
309.3608
MDL Number:
MFCD24842548
IUPAC Name:
tert-butyl 2-(oxan-4-yl)-3-oxo-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazole-5-carboxylate
InChI:
InChI=1S/C15H23N3O4/c1-15(2,3)22-14(20)17-8-11-12(9-17)16-18(13(11)19)10-4-6-21-7-5-10/h10,16H,4-9H2,1-3H3
InChI Key:
AIBAJAQOHIDKRB-UHFFFAOYSA-N
SMILES:
O=C(N1Cc2c(C1)c(n(n2)C1CCOCC1)O)OC(C)(C)C
Properties
Complexity:
517
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.169g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
309.366g/mol
Monoisotopic Mass:
309.169g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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