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80012-00-6 | 2H-1,3-Benzothiazin-2-one, 5,6,7,8-tetrahydro-, oxime
CAS No: 80012-00-6 Catalog No: AG008NT7 MDL No:
Product Description
Catalog Number:
AG008NT7
Chemical Name:
2H-1,3-Benzothiazin-2-one, 5,6,7,8-tetrahydro-, oxime
CAS Number:
80012-00-6
Molecular Formula:
C8H10N2OS
Molecular Weight:
182.2428
IUPAC Name:
N-(5,6,7,8-tetrahydro-1,3-benzothiazin-2-ylidene)hydroxylamine
InChI:
InChI=1S/C8H10N2OS/c11-10-8-9-5-6-3-1-2-4-7(6)12-8/h5,11H,1-4H2
InChI Key:
PLMMIGYQZNAKKA-UHFFFAOYSA-N
SMILES:
ON=c1ncc2c(s1)CCCC2
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.051g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.241g/mol
Monoisotopic Mass:
182.051g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.9
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