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839725-81-4 | Pyrano[4',3':3,4]cyclopent[1,2-d]isoxazole(9CI)
CAS No: 839725-81-4 Catalog No: AG008HGC MDL No:
Product Description
Catalog Number:
AG008HGC
Chemical Name:
Pyrano[4',3':3,4]cyclopent[1,2-d]isoxazole(9CI)
CAS Number:
839725-81-4
Molecular Formula:
C9H5NO2
Molecular Weight:
159.1415
IUPAC Name:
3,10-dioxa-4-azatricyclo[6.4.0.02,6]dodeca-1,4,6,8,11-pentaene
InChI:
InChI=1S/C9H5NO2/c1-2-11-5-7-3-6-4-10-12-9(6)8(1)7/h1-5H
InChI Key:
WNWQWGBGLFZKHO-UHFFFAOYSA-N
SMILES:
c1occ2c(c1)c1oncc1c2
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:
1.4
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