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116073-12-2

116073-12-2 | Spiro[2.3]hexan-4-one, 5,5-dichloro-6-cyclopropyl-6-methyl-

CAS No: 116073-12-2 Catalog No: AG000BK4 MDL No:

Product Description

Catalog Number:
AG000BK4
Chemical Name:
Spiro[2.3]hexan-4-one, 5,5-dichloro-6-cyclopropyl-6-methyl-
CAS Number:
116073-12-2
Molecular Formula:
C10H12Cl2O
Molecular Weight:
219.1077
IUPAC Name:
5,5-dichloro-6-cyclopropyl-6-methylspiro[2.3]hexan-4-one
InChI:
InChI=1S/C10H12Cl2O/c1-8(6-2-3-6)9(4-5-9)7(13)10(8,11)12/h6H,2-5H2,1H3
InChI Key:
CRHASBUSGVWLLT-UHFFFAOYSA-N
SMILES:
O=C1C(Cl)(Cl)C(C21CC2)(C)C1CC1

Properties

Complexity:
302  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.027g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.105g/mol
Monoisotopic Mass:
218.027g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3  

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