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166451-14-5 | L-Proline, 1-(2-azidobenzoyl)-
CAS No: 166451-14-5 Catalog No: AG001WQQ MDL No:
Product Description
Catalog Number:
AG001WQQ
Chemical Name:
L-Proline, 1-(2-azidobenzoyl)-
CAS Number:
166451-14-5
Molecular Formula:
C12H12N4O3
Molecular Weight:
260.2487
IUPAC Name:
(2S)-1-(2-azidobenzoyl)pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C12H12N4O3/c13-15-14-9-5-2-1-4-8(9)11(17)16-7-3-6-10(16)12(18)19/h1-2,4-5,10H,3,6-7H2,(H,18,19)/t10-/m0/s1
InChI Key:
AGKMTEPFYJXIAQ-JTQLQIEISA-N
SMILES:
[N-]=[N+]=Nc1ccccc1C(=O)N1CCC[C@H]1C(=O)O
Properties
Complexity:
419
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
260.091g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
260.253g/mol
Monoisotopic Mass:
260.091g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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