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113576-13-9 | 2-Propenoic acid, 3-(4-hydroxyphenyl)-, 2-ethylhexyl ester
CAS No: 113576-13-9 Catalog No: AG000919 MDL No:
Product Description
Catalog Number:
AG000919
Chemical Name:
2-Propenoic acid, 3-(4-hydroxyphenyl)-, 2-ethylhexyl ester
CAS Number:
113576-13-9
Molecular Formula:
C17H24O3
Molecular Weight:
276.3707
IUPAC Name:
2-ethylhexyl 3-(4-hydroxyphenyl)prop-2-enoate
InChI:
InChI=1S/C17H24O3/c1-3-5-6-14(4-2)13-20-17(19)12-9-15-7-10-16(18)11-8-15/h7-12,14,18H,3-6,13H2,1-2H3
InChI Key:
DAFFYDOASOLDQY-UHFFFAOYSA-N
SMILES:
CCCCC(COC(=O)C=Cc1ccc(cc1)O)CC
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.173g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.376g/mol
Monoisotopic Mass:
276.173g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
5
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