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130700-87-7

130700-87-7 | Furo[3,4-f]benzoxazole (9CI)

CAS No: 130700-87-7 Catalog No: AG000UTW MDL No:

Product Description

Catalog Number:
AG000UTW
Chemical Name:
Furo[3,4-f]benzoxazole (9CI)
CAS Number:
130700-87-7
Molecular Formula:
C9H5NO2
Molecular Weight:
159.1415
IUPAC Name:
furo[3,4-f][1,3]benzoxazole
InChI:
InChI=1S/C9H5NO2/c1-6-3-11-4-7(6)2-9-8(1)10-5-12-9/h1-5H
InChI Key:
OAOZEGIAHWTUOM-UHFFFAOYSA-N
SMILES:
o1cc2c(c1)cc1c(c2)ocn1

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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