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89345-00-6 | 2(3H)-Furanone, 3,3-dichlorodihydro-5-methyl-5-propyl-
CAS No: 89345-00-6 Catalog No: AG003ZD2 MDL No:
Product Description
Catalog Number:
AG003ZD2
Chemical Name:
2(3H)-Furanone, 3,3-dichlorodihydro-5-methyl-5-propyl-
CAS Number:
89345-00-6
Molecular Formula:
C8H12Cl2O2
Molecular Weight:
211.0857
IUPAC Name:
3,3-dichloro-5-methyl-5-propyloxolan-2-one
InChI:
InChI=1S/C8H12Cl2O2/c1-3-4-7(2)5-8(9,10)6(11)12-7/h3-5H2,1-2H3
InChI Key:
HICNKFDXGWWKJE-UHFFFAOYSA-N
SMILES:
CCCC1(C)OC(=O)C(C1)(Cl)Cl
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.021g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.082g/mol
Monoisotopic Mass:
210.021g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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