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116546-55-5 | Bicyclo[1.1.1]pentane-1-carboxylic acid, 2,2-dichloro-3-methyl-
CAS No: 116546-55-5 Catalog No: AG000CRU MDL No:
Product Description
Catalog Number:
AG000CRU
Chemical Name:
Bicyclo[1.1.1]pentane-1-carboxylic acid, 2,2-dichloro-3-methyl-
CAS Number:
116546-55-5
Molecular Formula:
C7H8Cl2O2
Molecular Weight:
195.0432
IUPAC Name:
2,2-dichloro-3-methylbicyclo[1.1.1]pentane-1-carboxylic acid
InChI:
InChI=1S/C7H8Cl2O2/c1-5-2-6(3-5,4(10)11)7(5,8)9/h2-3H2,1H3,(H,10,11)
InChI Key:
VDEPBWREPUXHJS-UHFFFAOYSA-N
SMILES:
OC(=O)C12CC(C1)(C2(Cl)Cl)C
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.99g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
195.039g/mol
Monoisotopic Mass:
193.99g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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