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868701-05-7 | Cyclopentanone, 2-(1-bromopentylidene)-4,4-dimethyl-
CAS No: 868701-05-7 Catalog No: AG004M4Z MDL No:
Product Description
Catalog Number:
AG004M4Z
Chemical Name:
Cyclopentanone, 2-(1-bromopentylidene)-4,4-dimethyl-
CAS Number:
868701-05-7
Molecular Formula:
C12H19BrO
Molecular Weight:
259.1827
IUPAC Name:
2-(1-bromopentylidene)-4,4-dimethylcyclopentan-1-one
InChI:
InChI=1S/C12H19BrO/c1-4-5-6-10(13)9-7-12(2,3)8-11(9)14/h4-8H2,1-3H3
InChI Key:
DYJJFHKGMIFUPJ-UHFFFAOYSA-N
SMILES:
CCCCC(=C1CC(CC1=O)(C)C)Br
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.062g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.187g/mol
Monoisotopic Mass:
258.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.8
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