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166959-22-4 | Benzenepropanoic acid, 4-hydroxy-3-(2-propen-1-yl)-, ethyl ester
CAS No: 166959-22-4 Catalog No: AG001X1Q MDL No:
Product Description
Catalog Number:
AG001X1Q
Chemical Name:
Benzenepropanoic acid, 4-hydroxy-3-(2-propen-1-yl)-, ethyl ester
CAS Number:
166959-22-4
Molecular Formula:
C14H18O3
Molecular Weight:
234.2909
IUPAC Name:
ethyl 3-(4-hydroxy-3-prop-2-enylphenyl)propanoate
InChI:
InChI=1S/C14H18O3/c1-3-5-12-10-11(6-8-13(12)15)7-9-14(16)17-4-2/h3,6,8,10,15H,1,4-5,7,9H2,2H3
InChI Key:
YYGVEGYTJZSQKF-UHFFFAOYSA-N
SMILES:
C=CCc1cc(CCC(=O)OCC)ccc1O
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.126g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.295g/mol
Monoisotopic Mass:
234.126g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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