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Home > Other Heterocycles > 4611-56-7
4611-56-7 | 8-ethyl-7-sulfanylidene-10-oxa-8-azabicyclo[4.4.0]deca-1,3,5-trien-9-one
CAS No: 4611-56-7 Catalog No: AG006XFN MDL No:
Product Description
Catalog Number:
AG006XFN
Chemical Name:
8-ethyl-7-sulfanylidene-10-oxa-8-azabicyclo[4.4.0]deca-1,3,5-trien-9-one
CAS Number:
4611-56-7
Molecular Formula:
C10H9NO2S
Molecular Weight:
207.2490
IUPAC Name:
3-ethyl-4-sulfanylidene-1,3-benzoxazin-2-one
InChI:
InChI=1S/C10H9NO2S/c1-2-11-9(14)7-5-3-4-6-8(7)13-10(11)12/h3-6H,2H2,1H3
InChI Key:
UJQVBUYKNTYXSG-UHFFFAOYSA-N
SMILES:
CCn1c(=O)oc2c(c1=S)cccc2
NSC Number:
227153
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.035g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.247g/mol
Monoisotopic Mass:
207.035g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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