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58851-99-3 | 3-(2-BENZOTHIAZOLYL)UMBELLIFERONE FOR
CAS No: 58851-99-3 Catalog No: AG00EK2V MDL No:
Product Description
Catalog Number:
AG00EK2V
Chemical Name:
3-(2-BENZOTHIAZOLYL)UMBELLIFERONE FOR
CAS Number:
58851-99-3
IUPAC Name:
3-(1,3-benzothiazol-2-yl)-7-hydroxychromen-2-one
InChI:
InChI=1S/C16H9NO3S/c18-10-6-5-9-7-11(16(19)20-13(9)8-10)15-17-12-3-1-2-4-14(12)21-15/h1-8,18H
InChI Key:
CYONGLVNBSZCQH-UHFFFAOYSA-N
NSC Number:
711198
Properties
Complexity:
466
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.03g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
295.312g/mol
Monoisotopic Mass:
295.03g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
87.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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