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136806-17-2 | 2H-1-Benzopyran-2-one, 3-acetyl-4-azido-
CAS No: 136806-17-2 Catalog No: AG0012E7 MDL No:
Product Description
Catalog Number:
AG0012E7
Chemical Name:
2H-1-Benzopyran-2-one, 3-acetyl-4-azido-
CAS Number:
136806-17-2
Molecular Formula:
C11H7N3O3
Molecular Weight:
229.1916
IUPAC Name:
3-acetyl-4-azidochromen-2-one
InChI:
InChI=1S/C11H7N3O3/c1-6(15)9-10(13-14-12)7-4-2-3-5-8(7)17-11(9)16/h2-5H,1H3
InChI Key:
GHUCWMFJLUIJPK-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=Nc1c(C(=O)C)c(=O)oc2c1cccc2
Properties
Complexity:
449
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.049g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.195g/mol
Monoisotopic Mass:
229.049g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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