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89650-03-3 | 2,4-Pentadienoic acid, 5-(3-methoxyphenyl)-2-methyl-
CAS No: 89650-03-3 Catalog No: AG0045HZ MDL No:
Product Description
Catalog Number:
AG0045HZ
Chemical Name:
2,4-Pentadienoic acid, 5-(3-methoxyphenyl)-2-methyl-
CAS Number:
89650-03-3
Molecular Formula:
C13H14O3
Molecular Weight:
218.2485
IUPAC Name:
5-(3-methoxyphenyl)-2-methylpenta-2,4-dienoic acid
InChI:
InChI=1S/C13H14O3/c1-10(13(14)15)5-3-6-11-7-4-8-12(9-11)16-2/h3-9H,1-2H3,(H,14,15)
InChI Key:
MUMFCOINGVLYQJ-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)C=CC=C(C(=O)O)C
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.094g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.252g/mol
Monoisotopic Mass:
218.094g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
2.9
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