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87451-77-2 | 2-Benzothiepin-4,5(1H,3H)-dione, 4-oxime
CAS No: 87451-77-2 Catalog No: AG004KBT MDL No:
Product Description
Catalog Number:
AG004KBT
Chemical Name:
2-Benzothiepin-4,5(1H,3H)-dione, 4-oxime
CAS Number:
87451-77-2
Molecular Formula:
C10H9NO2S
Molecular Weight:
207.2490
IUPAC Name:
4-hydroxyimino-1H-2-benzothiepin-5-one
InChI:
InChI=1S/C10H9NO2S/c12-10-8-4-2-1-3-7(8)5-14-6-9(10)11-13/h1-4,13H,5-6H2
InChI Key:
RVWAMUWANGJOEV-UHFFFAOYSA-N
SMILES:
ON=C1CSCc2c(C1=O)cccc2
Properties
Complexity:
265
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:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
207.247g/mol
Monoisotopic Mass:
207.035g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
75A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.3
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