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79770-56-2 | 1H-Thieno[4,3,2-cd]-2,1-benzisoxazole(9CI)
CAS No: 79770-56-2 Catalog No: AG005081 MDL No:MFCD28044753
Product Description
Catalog Number:
AG005081
Chemical Name:
1H-Thieno[4,3,2-cd]-2,1-benzisoxazole(9CI)
CAS Number:
79770-56-2
Molecular Formula:
C8H5NOS
Molecular Weight:
163.1964
MDL Number:
MFCD28044753
IUPAC Name:
3-oxa-6-thia-2-azatricyclo[5.3.1.04,11]undeca-1(11),4,7,9-tetraene
InChI:
InChI=1S/C8H5NOS/c1-2-5-8-6(10-9-5)4-11-7(8)3-1/h1-4,9H
InChI Key:
ABOYLFWVNLJYIY-UHFFFAOYSA-N
SMILES:
c1cc2scc3c2c(c1)[nH]o3
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.009g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
163.194g/mol
Monoisotopic Mass:
163.009g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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