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1022462-94-7,MFCD00448783
Catalog No.:AA0006XP
1022462-94-7 | Tricyclo[7.1.0.04,6]decane-5-carboxylic acid, 10,10-dichloro-
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Technical Information
Catalog Number:
AA0006XP
Chemical Name:
Tricyclo[7.1.0.04,6]decane-5-carboxylic acid, 10,10-dichloro-
CAS Number:
1022462-94-7
Molecular Formula:
C11H14Cl2O2
Molecular Weight:
249.1337
MDL Number:
MFCD00448783
IUPAC Name:
10,10-dichlorotricyclo[7.1.0.04,6]decane-5-carboxylic acid
InChI:
InChI=1S/C11H14Cl2O2/c12-11(13)7-3-1-5-6(2-4-8(7)11)9(5)10(14)15/h5-9H,1-4H2,(H,14,15)
InChI Key:
KTMXBVDXHDBMDV-UHFFFAOYSA-N
SMILES:
OC(=O)C1C2C1CCC1C(CC2)C1(Cl)Cl
Properties
Computed Properties
 
Complexity:
294  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.037g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
249.131g/mol
Monoisotopic Mass:
248.037g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
4  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  

Synonyms
 
1022462-94-7 
10,10-DICHLOROTRICYCLO[7.1.0.0~4,6~]DECANE-5-CARBOXYLIC ACID 
10,10-Dichlorotricyclo[7.1.0.0>4,6>]decane-5-carboxylic acid 
Tricyclo[7.1.0.04,6]decane-5-carboxylic acid, 10,10-dichloro- 
10,10-DICHLOROTRICYCLO[7.1.0.0?,?]DECANE-5-CARBOXYLIC ACID 
CID3573612 
CID 3573612 
10,10-Dichlorotricyclo[7.1.0.04,6]decane-5-carboxylic acid 
AC1MTCZU 
CTK4A0859 
DTXSID70393779 
ZX-CM015272 
MFCD00448783 
AKOS006339150 
W-6905 
Literature
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