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132604-66-1 | 2-Cyclopenten-1-one, 2-methyl-3-[(phenylsulfonyl)methyl]-
CAS No: 132604-66-1 Catalog No: AG0010W7 MDL No:
Product Description
Catalog Number:
AG0010W7
Chemical Name:
2-Cyclopenten-1-one, 2-methyl-3-[(phenylsulfonyl)methyl]-
CAS Number:
132604-66-1
Molecular Formula:
C13H14O3S
Molecular Weight:
250.3135
IUPAC Name:
3-(benzenesulfonylmethyl)-2-methylcyclopent-2-en-1-one
InChI:
InChI=1S/C13H14O3S/c1-10-11(7-8-13(10)14)9-17(15,16)12-5-3-2-4-6-12/h2-6H,7-9H2,1H3
InChI Key:
HKKGQAXUHSPKPO-UHFFFAOYSA-N
SMILES:
CC1=C(CCC1=O)CS(=O)(=O)c1ccccc1
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.066g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.312g/mol
Monoisotopic Mass:
250.066g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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