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20415-18-3 | Thiepino[4,5-d]isoxazole (8CI,9CI)
CAS No: 20415-18-3 Catalog No: AG0029BI MDL No:
Product Description
Catalog Number:
AG0029BI
Chemical Name:
Thiepino[4,5-d]isoxazole (8CI,9CI)
CAS Number:
20415-18-3
Molecular Formula:
C7H5NOS
Molecular Weight:
151.1857
IUPAC Name:
thiepino[4,5-d][1,2]oxazole
InChI:
InChI=1S/C7H5NOS/c1-3-10-4-2-7-6(1)5-8-9-7/h1-5H
InChI Key:
DQTMHZSENVWYCG-UHFFFAOYSA-N
SMILES:
S1C=Cc2c(C=C1)cno2
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.009g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
151.183g/mol
Monoisotopic Mass:
151.009g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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