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100018-56-2 | Cyclopentanemethanol, 4-amino-2-hydroxy-, (1R,2S,4R)-
CAS No: 100018-56-2 Catalog No: AG0000BB MDL No:
Product Description
Catalog Number:
AG0000BB
Chemical Name:
Cyclopentanemethanol, 4-amino-2-hydroxy-, (1R,2S,4R)-
CAS Number:
100018-56-2
Molecular Formula:
C6H13NO2
Molecular Weight:
131.1729
IUPAC Name:
(1S,2R,4R)-4-amino-2-(hydroxymethyl)cyclopentan-1-ol
InChI:
InChI=1S/C6H13NO2/c7-5-1-4(3-8)6(9)2-5/h4-6,8-9H,1-3,7H2/t4-,5-,6+/m1/s1
InChI Key:
XZINXOOZVCWXSP-PBXRRBTRSA-N
SMILES:
OC[C@H]1C[C@H](C[C@@H]1O)N
Properties
Complexity:
97.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
131.095g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
131.175g/mol
Monoisotopic Mass:
131.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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