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Home > Other Heterocycles > 83369-20-4
83369-20-4 | 2-Thiabicyclo[2.2.1]hept-5-en-3-one, oxime, (Z)-
CAS No: 83369-20-4 Catalog No: AG005519 MDL No:
Product Description
Catalog Number:
AG005519
Chemical Name:
2-Thiabicyclo[2.2.1]hept-5-en-3-one, oxime, (Z)-
CAS Number:
83369-20-4
Molecular Formula:
C6H7NOS
Molecular Weight:
141.1909
IUPAC Name:
N-(2-thiabicyclo[2.2.1]hept-5-en-3-ylidene)hydroxylamine
InChI:
InChI=1S/C6H7NOS/c8-7-6-4-1-2-5(3-4)9-6/h1-2,4-5,8H,3H2
InChI Key:
PXNZHIXOROTYPS-UHFFFAOYSA-N
SMILES:
O/N=C/1\SC2CC1C=C2
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.025g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
141.188g/mol
Monoisotopic Mass:
141.025g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
57.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
1
XLogP3:
1.4
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