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15542-36-6 | 2,4-Pentadienoic acid, 5-(4-methylphenyl)-, (2E,4E)-
CAS No: 15542-36-6 Catalog No: AG001NWM MDL No:
Product Description
Catalog Number:
AG001NWM
Chemical Name:
2,4-Pentadienoic acid, 5-(4-methylphenyl)-, (2E,4E)-
CAS Number:
15542-36-6
Molecular Formula:
C12H12O2
Molecular Weight:
188.2225
IUPAC Name:
5-(4-methylphenyl)penta-2,4-dienoic acid
InChI:
InChI=1S/C12H12O2/c1-10-6-8-11(9-7-10)4-2-3-5-12(13)14/h2-9H,1H3,(H,13,14)
InChI Key:
FTSVYRXMAOYUTQ-UHFFFAOYSA-N
SMILES:
OC(=O)/C=C/C=C/c1ccc(cc1)C
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.084g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.226g/mol
Monoisotopic Mass:
188.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
2.9
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