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88470-00-2 | 4H-1-Benzothiopyran-4-one, 3-hydroxy-2-(4-morpholinylmethyl)-
CAS No: 88470-00-2 Catalog No: AG004AD9 MDL No:
Product Description
Catalog Number:
AG004AD9
Chemical Name:
4H-1-Benzothiopyran-4-one, 3-hydroxy-2-(4-morpholinylmethyl)-
CAS Number:
88470-00-2
Molecular Formula:
C14H15NO3S
Molecular Weight:
277.3388
IUPAC Name:
3-hydroxy-2-(morpholin-4-ylmethyl)thiochromen-4-one
InChI:
InChI=1S/C14H15NO3S/c16-13-10-3-1-2-4-11(10)19-12(14(13)17)9-15-5-7-18-8-6-15/h1-4,17H,5-9H2
InChI Key:
PBLKQXDERBRDIZ-UHFFFAOYSA-N
SMILES:
Oc1c(CN2CCOCC2)sc2c(c1=O)cccc2
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.077g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
277.338g/mol
Monoisotopic Mass:
277.077g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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