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100925-76-6 | 4H-Cyclopenta[b]thiophene-4,6(5H)-dione
CAS No: 100925-76-6 Catalog No: AG00037A MDL No:MFCD18451561
Product Description
Catalog Number:
AG00037A
Chemical Name:
4H-Cyclopenta[b]thiophene-4,6(5H)-dione
CAS Number:
100925-76-6
Molecular Formula:
C7H4O2S
Molecular Weight:
152.1705
MDL Number:
MFCD18451561
IUPAC Name:
cyclopenta[b]thiophene-4,6-dione
InChI:
InChI=1S/C7H4O2S/c8-5-3-6(9)7-4(5)1-2-10-7/h1-2H,3H2
InChI Key:
ASZVXHKCNHBASK-UHFFFAOYSA-N
SMILES:
O=C1CC(=O)c2c1scc2
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.993g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.167g/mol
Monoisotopic Mass:
151.993g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
62.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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