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89381-25-9 | Pyrano[4,3,2-cd]-2,1-benzisoxazole(9CI)
CAS No: 89381-25-9 Catalog No: AG003WDE MDL No:MFCD27957517
Product Description
Catalog Number:
AG003WDE
Chemical Name:
Pyrano[4,3,2-cd]-2,1-benzisoxazole(9CI)
CAS Number:
89381-25-9
Molecular Formula:
C9H5NO2
Molecular Weight:
159.1415
MDL Number:
MFCD27957517
IUPAC Name:
3,7-dioxa-2-azatricyclo[6.3.1.04,12]dodeca-1,4(12),5,8,10-pentaene
InChI:
InChI=1S/C9H5NO2/c1-2-6-9-7(3-1)11-5-4-8(9)12-10-6/h1-5H
InChI Key:
QXCNBGRGLBTSDT-UHFFFAOYSA-N
SMILES:
C1=Cc2c3c(O1)cccc3no2
Properties
Complexity:
217
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:
35.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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