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19995-19-8 | Benzo[b]thiophen-4(5H)-one, 6,7-dihydro-, oxime
CAS No: 19995-19-8 Catalog No: AG002CHH MDL No:MFCD00182862
Product Description
Catalog Number:
AG002CHH
Chemical Name:
Benzo[b]thiophen-4(5H)-one, 6,7-dihydro-, oxime
CAS Number:
19995-19-8
Molecular Formula:
C8H9NOS
Molecular Weight:
167.2282
MDL Number:
MFCD00182862
IUPAC Name:
N-(6,7-dihydro-5H-1-benzothiophen-4-ylidene)hydroxylamine
InChI:
InChI=1S/C8H9NOS/c10-9-7-2-1-3-8-6(7)4-5-11-8/h4-5,10H,1-3H2
InChI Key:
JMHKHQOLEYGCNT-UHFFFAOYSA-N
SMILES:
ON=C1CCCc2c1ccs2
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.04g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
167.226g/mol
Monoisotopic Mass:
167.04g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2
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