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88734-87-6 | 4H-1-Benzothiopyran-4-one, 3-methoxy-
CAS No: 88734-87-6 Catalog No: AG0044ZC MDL No:
Product Description
Catalog Number:
AG0044ZC
Chemical Name:
4H-1-Benzothiopyran-4-one, 3-methoxy-
CAS Number:
88734-87-6
Molecular Formula:
C10H8O2S
Molecular Weight:
192.2343
IUPAC Name:
3-methoxythiochromen-4-one
InChI:
InChI=1S/C10H8O2S/c1-12-8-6-13-9-5-3-2-4-7(9)10(8)11/h2-6H,1H3
InChI Key:
FKMVUEGRLJRMGH-UHFFFAOYSA-N
SMILES:
COc1csc2c(c1=O)cccc2
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.025g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.232g/mol
Monoisotopic Mass:
192.025g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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