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Home > Other Heterocycles > 266997-77-7
266997-77-7 | 6,7,8,9-tetrahydrospiro[benzo[7]annulene-5,2'-[1,3]dioxolane]-9-one
CAS No: 266997-77-7 Catalog No: AG01A5B6 MDL No:MFCD24369263
Product Description
Catalog Number:
AG01A5B6
Chemical Name:
6,7,8,9-tetrahydrospiro[benzo[7]annulene-5,2'-[1,3]dioxolane]-9-one
CAS Number:
266997-77-7
Molecular Formula:
C13H14O3
Molecular Weight:
218.2485
MDL Number:
MFCD24369263
IUPAC Name:
spiro[1,3-dioxolane-2,5'-7,8-dihydro-6H-benzo[7]annulene]-9'-one
InChI:
InChI=1S/C13H14O3/c14-12-6-3-7-13(15-8-9-16-13)11-5-2-1-4-10(11)12/h1-2,4-5H,3,6-9H2
InChI Key:
YTLZIHUJDGTWMP-UHFFFAOYSA-N
SMILES:
O=C1CCCC2(c3c1cccc3)OCCO2
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.094g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.252g/mol
Monoisotopic Mass:
218.094g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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