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850163-40-5 | 2H-Pyran-2,4(3H)-dione, 3-(1,3-dithiolan-2-ylidene)dihydro-6-methyl-
CAS No: 850163-40-5 Catalog No: AG004Q07 MDL No:
Product Description
Catalog Number:
AG004Q07
Chemical Name:
2H-Pyran-2,4(3H)-dione, 3-(1,3-dithiolan-2-ylidene)dihydro-6-methyl-
CAS Number:
850163-40-5
Molecular Formula:
C9H10O3S2
Molecular Weight:
230.3039
IUPAC Name:
3-(1,3-dithiolan-2-ylidene)-6-methyloxane-2,4-dione
InChI:
InChI=1S/C9H10O3S2/c1-5-4-6(10)7(8(11)12-5)9-13-2-3-14-9/h5H,2-4H2,1H3
InChI Key:
QWCYTQHDEARPBA-UHFFFAOYSA-N
SMILES:
CC1CC(=O)C(=C2SCCS2)C(=O)O1
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.007g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.296g/mol
Monoisotopic Mass:
230.007g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
94A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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