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89091-75-8 | 2-Propenamide, N-(4-azidobutyl)-3-(4-hydroxyphenyl)-
CAS No: 89091-75-8 Catalog No: AG0040KW MDL No:
Product Description
Catalog Number:
AG0040KW
Chemical Name:
2-Propenamide, N-(4-azidobutyl)-3-(4-hydroxyphenyl)-
CAS Number:
89091-75-8
Molecular Formula:
C13H16N4O2
Molecular Weight:
260.2917
IUPAC Name:
N-(4-azidobutyl)-3-(4-hydroxyphenyl)prop-2-enamide
InChI:
InChI=1S/C13H16N4O2/c14-17-16-10-2-1-9-15-13(19)8-5-11-3-6-12(18)7-4-11/h3-8,18H,1-2,9-10H2,(H,15,19)
InChI Key:
XYKASNCWVPRHAQ-UHFFFAOYSA-N
SMILES:
O=C(C=Cc1ccc(cc1)O)NCCCCN=[N+]=[N-]
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.127g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
260.297g/mol
Monoisotopic Mass:
260.127g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
63.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.9
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