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139650-75-2 | 2-Hexenal, 6-bromo-, (2E)-
CAS No: 139650-75-2 Catalog No: AG001BGG MDL No:
Product Description
Catalog Number:
AG001BGG
Chemical Name:
2-Hexenal, 6-bromo-, (2E)-
CAS Number:
139650-75-2
Molecular Formula:
C6H9BrO
Molecular Weight:
177.0391
IUPAC Name:
6-bromohex-2-enal
InChI:
InChI=1S/C6H9BrO/c7-5-3-1-2-4-6-8/h2,4,6H,1,3,5H2
InChI Key:
KYUVVHXZWVQNBI-UHFFFAOYSA-N
SMILES:
BrCCC/C=C/C=O
Properties
Complexity:
78.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.984g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.041g/mol
Monoisotopic Mass:
175.984g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.6
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