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21962-96-9 | Spiro[benz[cd]indole-4(5H),2'-[1,3]dioxolan]-5-one
CAS No: 21962-96-9 Catalog No: AG007OQN MDL No:
Product Description
Catalog Number:
AG007OQN
Chemical Name:
Spiro[benz[cd]indole-4(5H),2'-[1,3]dioxolan]-5-one
CAS Number:
21962-96-9
Molecular Formula:
C13H9NO3
Molecular Weight:
227.2155
IUPAC Name:
spiro[1,3-dioxolane-2,4'-benzo[cd]indole]-5'-one
InChI:
InChI=1S/C13H9NO3/c15-12-9-2-1-3-10-11(9)8(7-14-10)6-13(12)16-4-5-17-13/h1-3,6-7H,4-5H2
InChI Key:
JMQILXWPLTYYTJ-UHFFFAOYSA-N
SMILES:
O=C1c2cccc3c2C(=CC21OCCO2)C=N3
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.058g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.219g/mol
Monoisotopic Mass:
227.058g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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