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138261-51-5 | 2H-Indeno[4,5-d]oxazole (9CI)
CAS No: 138261-51-5 Catalog No: AG0018FW MDL No:
Product Description
Catalog Number:
AG0018FW
Chemical Name:
2H-Indeno[4,5-d]oxazole (9CI)
CAS Number:
138261-51-5
Molecular Formula:
C10H7NO
Molecular Weight:
157.1687
IUPAC Name:
2H-cyclopenta[e][1,3]benzoxazole
InChI:
InChI=1S/C10H7NO/c1-2-7-4-5-9-10(8(7)3-1)11-6-12-9/h1-5H,6H2
InChI Key:
QNUPZTMJGXBICU-UHFFFAOYSA-N
SMILES:
C1=Cc2c(=C1)c1=NCOc1cc2
Properties
Complexity:
394
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:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
157.172g/mol
Monoisotopic Mass:
157.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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