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Home > Pyridines > 151252-19-6
151252-19-6 | 1,3-Dioxolo[4,5-c]pyridine-4-methanol, hexahydro-7-hydroxy-2,2-dimethyl-, (3aS,4R,7S,7aR)-
CAS No: 151252-19-6 Catalog No: AG001N7L MDL No:
Product Description
Catalog Number:
AG001N7L
Chemical Name:
1,3-Dioxolo[4,5-c]pyridine-4-methanol, hexahydro-7-hydroxy-2,2-dimethyl-, (3aS,4R,7S,7aR)-
CAS Number:
151252-19-6
Molecular Formula:
C9H17NO4
Molecular Weight:
203.2356
IUPAC Name:
(3aS,7aR)-4-(hydroxymethyl)-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-[1,3]dioxolo[4,5-c]pyridin-7-ol
InChI:
InChI=1S/C9H17NO4/c1-9(2)13-7-5(4-11)10-3-6(12)8(7)14-9/h5-8,10-12H,3-4H2,1-2H3/t5?,6?,7-,8+/m0/s1
InChI Key:
KVGDVIZWSSLLDW-RLXKETGRSA-N
SMILES:
OC[C@H]1NC[C@@H]([C@@H]2[C@H]1OC(O2)(C)C)O
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
203.116g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
203.238g/mol
Monoisotopic Mass:
203.116g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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