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13196-30-0 | 6H-Cyclopenta[b]thiophen-6-one, 4,5-dihydro-5-methyl-
CAS No: 13196-30-0 Catalog No: AG000ZYY MDL No:
Product Description
Catalog Number:
AG000ZYY
Chemical Name:
6H-Cyclopenta[b]thiophen-6-one, 4,5-dihydro-5-methyl-
CAS Number:
13196-30-0
Molecular Formula:
C8H8OS
Molecular Weight:
152.2135
IUPAC Name:
5-methyl-4,5-dihydrocyclopenta[b]thiophen-6-one
InChI:
InChI=1S/C8H8OS/c1-5-4-6-2-3-10-8(6)7(5)9/h2-3,5H,4H2,1H3
InChI Key:
GANSKXZKECOJHQ-UHFFFAOYSA-N
SMILES:
CC1Cc2c(C1=O)scc2
NSC Number:
34087
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.03g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.211g/mol
Monoisotopic Mass:
152.03g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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