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873849-96-8 | 2H-1-Benzopyran-2-one, 3-(3-azido-1-oxopropyl)-7-(diethylamino)-
CAS No: 873849-96-8 Catalog No: AG004K40 MDL No:
Product Description
Catalog Number:
AG004K40
Chemical Name:
2H-1-Benzopyran-2-one, 3-(3-azido-1-oxopropyl)-7-(diethylamino)-
CAS Number:
873849-96-8
Molecular Formula:
C16H18N4O3
Molecular Weight:
314.3391
IUPAC Name:
3-(3-azidopropanoyl)-7-(diethylamino)chromen-2-one
InChI:
InChI=1S/C16H18N4O3/c1-3-20(4-2)12-6-5-11-9-13(14(21)7-8-18-19-17)16(22)23-15(11)10-12/h5-6,9-10H,3-4,7-8H2,1-2H3
InChI Key:
XPELEHKRZMKUID-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=NCCC(=O)c1cc2ccc(cc2oc1=O)N(CC)CC
Properties
Complexity:
535
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.138g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.345g/mol
Monoisotopic Mass:
314.138g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
61A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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