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89675-93-4 | Lithium, (1,5-dihydrospiro[2,4-benzodioxepin-3,1'-cyclopropan]-2'-yl)-
CAS No: 89675-93-4 Catalog No: AG0044IB MDL No:
Product Description
Catalog Number:
AG0044IB
Chemical Name:
Lithium, (1,5-dihydrospiro[2,4-benzodioxepin-3,1'-cyclopropan]-2'-yl)-
CAS Number:
89675-93-4
Molecular Formula:
C11H11LiO2
Molecular Weight:
182.1448
IUPAC Name:
lithium;spiro[1,5-dihydro-2,4-benzodioxepine-3,1'-cyclopropane]
InChI:
InChI=1S/C11H11O2.Li/c1-2-4-10-8-13-11(5-6-11)12-7-9(10)3-1;/h1-5H,6-8H2;/q-1;+1
InChI Key:
PQJIFAOCPKHANA-UHFFFAOYSA-N
SMILES:
[Li]C1CC21OCc1c(CO2)cccc1
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.092g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.147g/mol
Monoisotopic Mass:
182.092g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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