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117272-33-0 | Furo[3,4-e]benzoxazole (9CI)
CAS No: 117272-33-0 Catalog No: AG000E11 MDL No:
Product Description
Catalog Number:
AG000E11
Chemical Name:
Furo[3,4-e]benzoxazole (9CI)
CAS Number:
117272-33-0
Molecular Formula:
C9H5NO2
Molecular Weight:
159.1415
IUPAC Name:
furo[3,4-e][1,3]benzoxazole
InChI:
InChI=1S/C9H5NO2/c1-2-8-9(10-5-12-8)7-4-11-3-6(1)7/h1-5H
InChI Key:
KBCNCDYLFHGKJP-UHFFFAOYSA-N
SMILES:
o1cc2c(c1)c1ncoc1cc2
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.032g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
159.144g/mol
Monoisotopic Mass:
159.032g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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