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89361-81-9 | 3-Oxabicyclo[3.2.0]heptane-2,4-dione,6,7-dichloro-
CAS No: 89361-81-9 Catalog No: AG003YWR MDL No:
Product Description
Catalog Number:
AG003YWR
Chemical Name:
3-Oxabicyclo[3.2.0]heptane-2,4-dione,6,7-dichloro-
CAS Number:
89361-81-9
Molecular Formula:
C6H4Cl2O3
Molecular Weight:
195.0002
IUPAC Name:
6,7-dichloro-3-oxabicyclo[3.2.0]heptane-2,4-dione
InChI:
InChI=1S/C6H4Cl2O3/c7-3-1-2(4(3)8)6(10)11-5(1)9/h1-4H
InChI Key:
SVWYPMPUZSZFRO-UHFFFAOYSA-N
SMILES:
ClC1C(Cl)C2C1C(=O)OC2=O
NSC Number:
119081
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.954g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.995g/mol
Monoisotopic Mass:
193.954g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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