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88961-90-4 | Ethanone, 1-[5-(3-azidopropyl)-2-thienyl]-
CAS No: 88961-90-4 Catalog No: AG0046Q8 MDL No:
Product Description
Catalog Number:
AG0046Q8
Chemical Name:
Ethanone, 1-[5-(3-azidopropyl)-2-thienyl]-
CAS Number:
88961-90-4
Molecular Formula:
C9H11N3OS
Molecular Weight:
209.2681
IUPAC Name:
1-[5-(3-azidopropyl)thiophen-2-yl]ethanone
InChI:
InChI=1S/C9H11N3OS/c1-7(13)9-5-4-8(14-9)3-2-6-11-12-10/h4-5H,2-3,6H2,1H3
InChI Key:
NMGAPAXNUUZAPN-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=NCCCc1ccc(s1)C(=O)C
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.062g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.267g/mol
Monoisotopic Mass:
209.062g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
59.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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