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873934-02-2 | L-Proline, 1-[(1E)-6-bromo-1-hexenyl]-
CAS No: 873934-02-2 Catalog No: AG004GPP MDL No:
Product Description
Catalog Number:
AG004GPP
Chemical Name:
L-Proline, 1-[(1E)-6-bromo-1-hexenyl]-
CAS Number:
873934-02-2
Molecular Formula:
C11H18BrNO2
Molecular Weight:
276.1701
IUPAC Name:
(2S)-1-(6-bromohex-1-enyl)pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C11H18BrNO2/c12-7-3-1-2-4-8-13-9-5-6-10(13)11(14)15/h4,8,10H,1-3,5-7,9H2,(H,14,15)/t10-/m0/s1
InChI Key:
XLJVOUQCOPESBG-JTQLQIEISA-N
SMILES:
BrCCCC/C=C/N1CCC[C@H]1C(=O)O
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
275.052g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.174g/mol
Monoisotopic Mass:
275.052g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
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