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13678-69-8 | 1,2-Propanedione, 1-(2-thienyl)-
CAS No: 13678-69-8 Catalog No: AG0012CT MDL No:MFCD18451806
Product Description
Catalog Number:
AG0012CT
Chemical Name:
1,2-Propanedione, 1-(2-thienyl)-
CAS Number:
13678-69-8
Molecular Formula:
C7H6O2S
Molecular Weight:
154.1863
MDL Number:
MFCD18451806
IUPAC Name:
1-thiophen-2-ylpropane-1,2-dione
InChI:
InChI=1S/C7H6O2S/c1-5(8)7(9)6-3-2-4-10-6/h2-4H,1H3
InChI Key:
FDYDDUUWFJQMQC-UHFFFAOYSA-N
SMILES:
CC(=O)C(=O)c1cccs1
EC Number:
237-174-4
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.009g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
154.183g/mol
Monoisotopic Mass:
154.009g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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