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835922-52-6 | Pyrrolidinium, 1-(4-hydroxy-2-butynyl)-1-(4-penten-2-ynyl)-, chloride
CAS No: 835922-52-6 Catalog No: AG004TTD MDL No:
Product Description
Catalog Number:
AG004TTD
Chemical Name:
Pyrrolidinium, 1-(4-hydroxy-2-butynyl)-1-(4-penten-2-ynyl)-, chloride
CAS Number:
835922-52-6
Molecular Formula:
C13H18ClNO
Molecular Weight:
239.7411
IUPAC Name:
4-(1-pent-4-en-2-ynylpyrrolidin-1-ium-1-yl)but-2-yn-1-ol;chloride
InChI:
InChI=1S/C13H18NO.ClH/c1-2-3-4-9-14(10-5-6-11-14)12-7-8-13-15;/h2,15H,1,5-6,9-13H2;1H/q+1;/p-1
InChI Key:
RORDGMSIYAKNBX-UHFFFAOYSA-M
SMILES:
OCC#CC[N+]1(CCCC1)CC#CC=C.[Cl-]
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.108g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.743g/mol
Monoisotopic Mass:
239.108g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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