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126517-92-8 | 2-Cyclopenten-1-one, 2,3,5-trichloro-4,4-dimethoxy-5-(2-propen-1-yl)-
CAS No: 126517-92-8 Catalog No: AG000SVI MDL No:
Product Description
Catalog Number:
AG000SVI
Chemical Name:
2-Cyclopenten-1-one, 2,3,5-trichloro-4,4-dimethoxy-5-(2-propen-1-yl)-
CAS Number:
126517-92-8
Molecular Formula:
C10H11Cl3O3
Molecular Weight:
285.5515
IUPAC Name:
2,3,5-trichloro-4,4-dimethoxy-5-prop-2-enylcyclopent-2-en-1-one
InChI:
InChI=1S/C10H11Cl3O3/c1-4-5-9(13)8(14)6(11)7(12)10(9,15-2)16-3/h4H,1,5H2,2-3H3
InChI Key:
KKSPRMWQDCCVKC-UHFFFAOYSA-N
SMILES:
C=CCC1(Cl)C(=O)C(=C(C1(OC)OC)Cl)Cl
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.977g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.545g/mol
Monoisotopic Mass:
283.977g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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