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233-00-1 | Naphth[1,2-d]isoxazole
CAS No: 233-00-1 Catalog No: AG002MTZ MDL No:
Product Description
Catalog Number:
AG002MTZ
Chemical Name:
Naphth[1,2-d]isoxazole
CAS Number:
233-00-1
Molecular Formula:
C11H7NO
Molecular Weight:
169.1794
IUPAC Name:
benzo[e][1,2]benzoxazole
InChI:
InChI=1S/C11H7NO/c1-2-4-9-8(3-1)5-6-11-10(9)7-12-13-11/h1-7H
InChI Key:
KZCMZPDROXCRGA-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)c1cnoc1cc2
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.053g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.183g/mol
Monoisotopic Mass:
169.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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