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15542-35-5 | 2,4-Pentadienoic acid, 5-(4-bromophenyl)-, (2E,4E)-
CAS No: 15542-35-5 Catalog No: AG001NWN MDL No:
Product Description
Catalog Number:
AG001NWN
Chemical Name:
2,4-Pentadienoic acid, 5-(4-bromophenyl)-, (2E,4E)-
CAS Number:
15542-35-5
Molecular Formula:
C11H9BrO2
Molecular Weight:
253.0920
IUPAC Name:
5-(4-bromophenyl)penta-2,4-dienoic acid
InChI:
InChI=1S/C11H9BrO2/c12-10-7-5-9(6-8-10)3-1-2-4-11(13)14/h1-8H,(H,13,14)
InChI Key:
VOYSRRAAFWNKEK-UHFFFAOYSA-N
SMILES:
OC(=O)/C=C/C=C/c1ccc(cc1)Br
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.979g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.095g/mol
Monoisotopic Mass:
251.979g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
3.2
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