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138768-13-5 | 1,3-Cyclopentanedione, 2-(2-bromo-2-propen-1-yl)-2-methyl-
CAS No: 138768-13-5 Catalog No: AG0019I8 MDL No:
Product Description
Catalog Number:
AG0019I8
Chemical Name:
1,3-Cyclopentanedione, 2-(2-bromo-2-propen-1-yl)-2-methyl-
CAS Number:
138768-13-5
Molecular Formula:
C9H11BrO2
Molecular Weight:
231.0864
IUPAC Name:
2-(2-bromoprop-2-enyl)-2-methylcyclopentane-1,3-dione
InChI:
InChI=1S/C9H11BrO2/c1-6(10)5-9(2)7(11)3-4-8(9)12/h1,3-5H2,2H3
InChI Key:
GHKUZRREDQDVGH-UHFFFAOYSA-N
SMILES:
BrC(=C)CC1(C)C(=O)CCC1=O
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.994g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.089g/mol
Monoisotopic Mass:
229.994g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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