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155899-66-4 | 4H-Cyclopenta-1,3-dioxol-4-ol, 6-aminotetrahydro-2,2-dimethyl-, (3aR,4S,6R,6aS)-
CAS No: 155899-66-4 Catalog No: AG001OBB MDL No:MFCD22690255
Product Description
Catalog Number:
AG001OBB
Chemical Name:
4H-Cyclopenta-1,3-dioxol-4-ol, 6-aminotetrahydro-2,2-dimethyl-, (3aR,4S,6R,6aS)-
CAS Number:
155899-66-4
Molecular Formula:
C8H15NO3
Molecular Weight:
173.2096
MDL Number:
MFCD22690255
IUPAC Name:
(3aR,4S,6R,6aS)-6-amino-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-ol
InChI:
InChI=1S/C8H15NO3/c1-8(2)11-6-4(9)3-5(10)7(6)12-8/h4-7,10H,3,9H2,1-2H3/t4-,5+,6+,7-/m1/s1
InChI Key:
AXPYGRDXRLICKY-JRTVQGFMSA-N
SMILES:
N[C@@H]1C[C@@H]([C@@H]2[C@H]1OC(O2)(C)C)O
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
173.105g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
173.212g/mol
Monoisotopic Mass:
173.105g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
64.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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