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133226-44-5 | 2-Propenoic acid, 3-phenyl-, 6-hydroxyhexyl ester
CAS No: 133226-44-5 Catalog No: AG0014F5 MDL No:
Product Description
Catalog Number:
AG0014F5
Chemical Name:
2-Propenoic acid, 3-phenyl-, 6-hydroxyhexyl ester
CAS Number:
133226-44-5
Molecular Formula:
C15H20O3
Molecular Weight:
248.3175
IUPAC Name:
6-hydroxyhexyl 3-phenylprop-2-enoate
InChI:
InChI=1S/C15H20O3/c16-12-6-1-2-7-13-18-15(17)11-10-14-8-4-3-5-9-14/h3-5,8-11,16H,1-2,6-7,12-13H2
InChI Key:
XCDFVECGUGAXBT-UHFFFAOYSA-N
SMILES:
OCCCCCCOC(=O)C=Cc1ccccc1
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.141g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.322g/mol
Monoisotopic Mass:
248.141g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.4
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