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157025-46-2 | 3,4-Pyrrolidinediol, 1-methyl-, (3R,4R)-rel-
CAS No: 157025-46-2 Catalog No: AG001P6C MDL No:
Product Description
Catalog Number:
AG001P6C
Chemical Name:
3,4-Pyrrolidinediol, 1-methyl-, (3R,4R)-rel-
CAS Number:
157025-46-2
Molecular Formula:
C5H11NO2
Molecular Weight:
117.1463
IUPAC Name:
(3R,4R)-1-methylpyrrolidine-3,4-diol
InChI:
InChI=1S/C5H11NO2/c1-6-2-4(7)5(8)3-6/h4-5,7-8H,2-3H2,1H3/t4-,5-/m1/s1
InChI Key:
VJSWVPMFOHDBHG-RFZPGFLSSA-N
SMILES:
O[C@@H]1CN(C[C@H]1O)C
Properties
Complexity:
76.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
117.079g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
117.148g/mol
Monoisotopic Mass:
117.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
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