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173481-20-4 | 2-Propenoic acid, 3-[(2-ethylhexyl)oxy]-3-oxopropyl ester
CAS No: 173481-20-4 Catalog No: AG001YYL MDL No:
Product Description
Catalog Number:
AG001YYL
Chemical Name:
2-Propenoic acid, 3-[(2-ethylhexyl)oxy]-3-oxopropyl ester
CAS Number:
173481-20-4
Molecular Formula:
C14H24O4
Molecular Weight:
256.3380
IUPAC Name:
2-ethylhexyl 3-prop-2-enoyloxypropanoate
InChI:
InChI=1S/C14H24O4/c1-4-7-8-12(5-2)11-18-14(16)9-10-17-13(15)6-3/h6,12H,3-5,7-11H2,1-2H3
InChI Key:
LTAKBNSBIIBIOU-UHFFFAOYSA-N
SMILES:
CCCCC(COC(=O)CCOC(=O)C=C)CC
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.167g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.342g/mol
Monoisotopic Mass:
256.167g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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