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3159-05-5 | 8-METHOXYDIBENZO[B,F][1,4]THIAZEPIN-11(10H)-ONE
CAS No: 3159-05-5 Catalog No: AG00I5ZK MDL No:
Product Description
Catalog Number:
AG00I5ZK
Chemical Name:
8-METHOXYDIBENZO[B,F][1,4]THIAZEPIN-11(10H)-ONE
CAS Number:
3159-05-5
IUPAC Name:
3-methoxy-5H-benzo[b][1,4]benzothiazepin-6-one
InChI:
InChI=1S/C14H11NO2S/c1-17-9-6-7-13-11(8-9)15-14(16)10-4-2-3-5-12(10)18-13/h2-8H,1H3,(H,15,16)
InChI Key:
VQHHICPQRNCAQZ-UHFFFAOYSA-N
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.051g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.307g/mol
Monoisotopic Mass:
257.051g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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