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13937-89-8 | Pyrrolidine, 1-(1-buten-1-yl)-
CAS No: 13937-89-8 Catalog No: AG001AVZ MDL No:
Product Description
Catalog Number:
AG001AVZ
Chemical Name:
Pyrrolidine, 1-(1-buten-1-yl)-
CAS Number:
13937-89-8
Molecular Formula:
C8H15N
Molecular Weight:
125.2114
IUPAC Name:
1-[(E)-but-1-enyl]pyrrolidine
InChI:
InChI=1S/C8H15N/c1-2-3-6-9-7-4-5-8-9/h3,6H,2,4-5,7-8H2,1H3/b6-3+
InChI Key:
GQCQSPFOXSSUEG-ZZXKWVIFSA-N
SMILES:
CCC=CN1CCCC1
NSC Number:
71118
Properties
Complexity:
90.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
125.12g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
125.215g/mol
Monoisotopic Mass:
125.12g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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