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20562-59-8 | 2H-Indeno[2,1-d]isoxazole (8CI,9CI)
CAS No: 20562-59-8 Catalog No: AG002A8N MDL No:
Product Description
Catalog Number:
AG002A8N
Chemical Name:
2H-Indeno[2,1-d]isoxazole (8CI,9CI)
CAS Number:
20562-59-8
Molecular Formula:
C10H7NO
Molecular Weight:
157.1687
IUPAC Name:
2H-indeno[2,1-d][1,2]oxazole
InChI:
InChI=1S/C10H7NO/c1-2-4-9-7(3-1)5-8-6-11-12-10(8)9/h1-6,11H
InChI Key:
GCIPQLIBIYSPEB-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)c1o[nH]cc1c2
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.053g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
157.172g/mol
Monoisotopic Mass:
157.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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