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1889-99-2 | 2-Cyclopenten-1-one, 3-bromo-2-hydroxy-4,4,5,5-tetramethyl-
CAS No: 1889-99-2 Catalog No: AG002HHE MDL No:
Product Description
Catalog Number:
AG002HHE
Chemical Name:
2-Cyclopenten-1-one, 3-bromo-2-hydroxy-4,4,5,5-tetramethyl-
CAS Number:
1889-99-2
Molecular Formula:
C9H13BrO2
Molecular Weight:
233.1023
IUPAC Name:
3-bromo-2-hydroxy-4,4,5,5-tetramethylcyclopent-2-en-1-one
InChI:
InChI=1S/C9H13BrO2/c1-8(2)6(10)5(11)7(12)9(8,3)4/h11H,1-4H3
InChI Key:
ZAUGLWIVUJBQBG-UHFFFAOYSA-N
SMILES:
OC1=C(Br)C(C(C1=O)(C)C)(C)C
EC Number:
217-570-3
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.01g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.105g/mol
Monoisotopic Mass:
232.01g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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