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126405-32-1 | 3,4-Pyrrolidinediol, 1-butyl-2-(hydroxymethyl)-, (2S,3S,4S)-
CAS No: 126405-32-1 Catalog No: AG000SR9 MDL No:
Product Description
Catalog Number:
AG000SR9
Chemical Name:
3,4-Pyrrolidinediol, 1-butyl-2-(hydroxymethyl)-, (2S,3S,4S)-
CAS Number:
126405-32-1
Molecular Formula:
C9H19NO3
Molecular Weight:
189.2521
IUPAC Name:
1-butyl-2-(hydroxymethyl)pyrrolidine-3,4-diol
InChI:
InChI=1S/C9H19NO3/c1-2-3-4-10-5-8(12)9(13)7(10)6-11/h7-9,11-13H,2-6H2,1H3
InChI Key:
AORXTDSJOOFVRB-UHFFFAOYSA-N
SMILES:
CCCCN1C[C@@H]([C@H]([C@@H]1CO)O)O
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.136g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
189.255g/mol
Monoisotopic Mass:
189.136g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.9A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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