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168295-37-2

168295-37-2 | 2,4,6-Heptatrienal, 7-bromo-, (2E,4E,6E)-

CAS No: 168295-37-2 Catalog No: AG001XZW MDL No:

Product Description

Catalog Number:
AG001XZW
Chemical Name:
2,4,6-Heptatrienal, 7-bromo-, (2E,4E,6E)-
CAS Number:
168295-37-2
Molecular Formula:
C7H7BrO
Molecular Weight:
187.0339
IUPAC Name:
7-bromohepta-2,4,6-trienal
InChI:
InChI=1S/C7H7BrO/c8-6-4-2-1-3-5-7-9/h1-7H
InChI Key:
VZDSNTXGICFLSE-UHFFFAOYSA-N
SMILES:
Br/C=C/C=C/C=C/C=O

Properties

Complexity:
145  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.968g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.036g/mol
Monoisotopic Mass:
185.968g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
3  
XLogP3:
1.9  

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