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827614-13-1 | 3,5-Heptadien-2-one, 7-bromo-, (3E,5E)-
CAS No: 827614-13-1 Catalog No: AG004Y4Z MDL No:
Product Description
Catalog Number:
AG004Y4Z
Chemical Name:
3,5-Heptadien-2-one, 7-bromo-, (3E,5E)-
CAS Number:
827614-13-1
Molecular Formula:
C7H9BrO
Molecular Weight:
189.0498
IUPAC Name:
7-bromohepta-3,5-dien-2-one
InChI:
InChI=1S/C7H9BrO/c1-7(9)5-3-2-4-6-8/h2-5H,6H2,1H3
InChI Key:
ZXYAKPOXRYJIBD-UHFFFAOYSA-N
SMILES:
BrC/C=C/C=C/C(=O)C
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.984g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.052g/mol
Monoisotopic Mass:
187.984g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
1.6
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