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132804-44-5 | 4,7-Ethano-4H-thiopyrano[3,4-d]isoxazole (9CI)
CAS No: 132804-44-5 Catalog No: AG00117X MDL No:
Product Description
Catalog Number:
AG00117X
Chemical Name:
4,7-Ethano-4H-thiopyrano[3,4-d]isoxazole (9CI)
CAS Number:
132804-44-5
Molecular Formula:
C8H7NOS
Molecular Weight:
165.2123
IUPAC Name:
3-oxa-8-thia-4-azatricyclo[5.2.2.02,6]undeca-1(9),2(6),4-triene
InChI:
InChI=1S/C8H7NOS/c1-2-7-6-3-9-10-8(6)5(1)4-11-7/h3-4,7H,1-2H2
InChI Key:
HDMCHSGNFBWZQO-UHFFFAOYSA-N
SMILES:
n1cc2c(o1)C1=CSC2CC1
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.025g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.21g/mol
Monoisotopic Mass:
165.025g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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