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14731-40-9 | Pyrrolidine, 1-(3-butyn-1-yl)-
CAS No: 14731-40-9 Catalog No: AG001ES9 MDL No:MFCD18841064
Product Description
Catalog Number:
AG001ES9
Chemical Name:
Pyrrolidine, 1-(3-butyn-1-yl)-
CAS Number:
14731-40-9
Molecular Formula:
C8H13N
Molecular Weight:
123.1955
MDL Number:
MFCD18841064
IUPAC Name:
1-but-3-ynylpyrrolidine
InChI:
InChI=1S/C8H13N/c1-2-3-6-9-7-4-5-8-9/h1H,3-8H2
InChI Key:
WFEOGMWEZOBOAI-UHFFFAOYSA-N
SMILES:
C#CCCN1CCCC1
Properties
Complexity:
114
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
123.105g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
123.199g/mol
Monoisotopic Mass:
123.105g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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