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116539-67-4 | 2-Propenoic acid, 2-[2-(4-dodecylphenoxy)ethoxy]ethyl ester
CAS No: 116539-67-4 Catalog No: AG000CR6 MDL No:
Product Description
Catalog Number:
AG000CR6
Chemical Name:
2-Propenoic acid, 2-[2-(4-dodecylphenoxy)ethoxy]ethyl ester
CAS Number:
116539-67-4
Molecular Formula:
C25H40O4
Molecular Weight:
404.5827
IUPAC Name:
2-[2-(4-dodecylphenoxy)ethoxy]ethyl prop-2-enoate
InChI:
InChI=1S/C25H40O4/c1-3-5-6-7-8-9-10-11-12-13-14-23-15-17-24(18-16-23)28-21-19-27-20-22-29-25(26)4-2/h4,15-18H,2-3,5-14,19-22H2,1H3
InChI Key:
SGDXPXNHDZLHSR-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCc1ccc(cc1)OCCOCCOC(=O)C=C
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
404.293g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
404.591g/mol
Monoisotopic Mass:
404.293g/mol
Rotatable Bond Count:
20
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.4
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