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Home > Other Heterocycles > 7144-28-7
7144-28-7 | 9-(3-Hydroxyphenyl)-8-oxa-10-thiabicyclo[4.4.0]deca-1,3,5-trien-7-one
CAS No: 7144-28-7 Catalog No: AG005IL1 MDL No:
Product Description
Catalog Number:
AG005IL1
Chemical Name:
9-(3-Hydroxyphenyl)-8-oxa-10-thiabicyclo[4.4.0]deca-1,3,5-trien-7-one
CAS Number:
7144-28-7
Molecular Formula:
C14H10O3S
Molecular Weight:
258.2924
IUPAC Name:
2-(3-hydroxyphenyl)-3,1-benzoxathiin-4-one
InChI:
InChI=1S/C14H10O3S/c15-10-5-3-4-9(8-10)14-17-13(16)11-6-1-2-7-12(11)18-14/h1-8,14-15H
InChI Key:
OCKPKHNGOMRNNC-UHFFFAOYSA-N
SMILES:
Oc1cccc(c1)C1OC(=O)c2c(S1)cccc2
NSC Number:
73887
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.035g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.291g/mol
Monoisotopic Mass:
258.035g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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