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Home > Pyridines > 122194-06-3
122194-06-3 | 1,3-Dioxolo[4,5-c]pyridin-7-ol, hexahydro-2,2,4-trimethyl-, (3aR,4S,7R,7aS)-
CAS No: 122194-06-3 Catalog No: AG0016XB MDL No:
Product Description
Catalog Number:
AG0016XB
Chemical Name:
1,3-Dioxolo[4,5-c]pyridin-7-ol, hexahydro-2,2,4-trimethyl-, (3aR,4S,7R,7aS)-
CAS Number:
122194-06-3
Molecular Formula:
C9H17NO3
Molecular Weight:
187.2362
IUPAC Name:
(3aR,4S,7R,7aS)-2,2,4-trimethyl-3a,4,5,6,7,7a-hexahydro-[1,3]dioxolo[4,5-c]pyridin-7-ol
InChI:
InChI=1S/C9H17NO3/c1-5-7-8(6(11)4-10-5)13-9(2,3)12-7/h5-8,10-11H,4H2,1-3H3/t5-,6+,7+,8-/m0/s1
InChI Key:
FFXXJTWOLUDTGD-OSMVPFSASA-N
SMILES:
O[C@@H]1CN[C@H]([C@@H]2[C@H]1OC(O2)(C)C)C
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
187.121g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
187.239g/mol
Monoisotopic Mass:
187.121g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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