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115531-71-0 | 1-Pyrrolidinepropanenitrile, 2-(hydroxymethyl)-, (2S)-
CAS No: 115531-71-0 Catalog No: AG000G4T MDL No:
Product Description
Catalog Number:
AG000G4T
Chemical Name:
1-Pyrrolidinepropanenitrile, 2-(hydroxymethyl)-, (2S)-
CAS Number:
115531-71-0
Molecular Formula:
C8H14N2O
Molecular Weight:
154.2096
IUPAC Name:
3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propanenitrile
InChI:
InChI=1S/C8H14N2O/c9-4-2-6-10-5-1-3-8(10)7-11/h8,11H,1-3,5-7H2/t8-/m0/s1
InChI Key:
LLAZEWFHCZQXTJ-QMMMGPOBSA-N
SMILES:
OC[C@@H]1CCCN1CCC#N
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
154.111g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
154.213g/mol
Monoisotopic Mass:
154.111g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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