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86163-66-8 | 2H-Naphth[2,3-b]oxet-2-one
CAS No: 86163-66-8 Catalog No: AG004OLB MDL No:
Product Description
Catalog Number:
AG004OLB
Chemical Name:
2H-Naphth[2,3-b]oxet-2-one
CAS Number:
86163-66-8
Molecular Formula:
C11H6O2
Molecular Weight:
170.1641
IUPAC Name:
naphtho[2,3-b]oxet-2-one
InChI:
InChI=1S/C11H6O2/c12-11-9-5-7-3-1-2-4-8(7)6-10(9)13-11/h1-6H
InChI Key:
UKSLKTNPNBTRGG-UHFFFAOYSA-N
SMILES:
O=C1Oc2c1cc1c(c2)cccc1
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.037g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.167g/mol
Monoisotopic Mass:
170.037g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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