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56166-83-7 | 2-Ethylhexyl methyl phthalate
CAS No: 56166-83-7 Catalog No: AG003AP9 MDL No:
Product Description
Catalog Number:
AG003AP9
Chemical Name:
2-Ethylhexyl methyl phthalate
CAS Number:
56166-83-7
Molecular Formula:
C17H24O4
Molecular Weight:
292.3701
IUPAC Name:
2-O-(2-ethylhexyl) 1-O-methyl benzene-1,2-dicarboxylate
InChI:
InChI=1S/C17H24O4/c1-4-6-9-13(5-2)12-21-17(19)15-11-8-7-10-14(15)16(18)20-3/h7-8,10-11,13H,4-6,9,12H2,1-3H3
InChI Key:
MQYNKBGLFNKJPL-UHFFFAOYSA-N
SMILES:
CCCCC(COC(=O)c1ccccc1C(=O)OC)CC
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.167g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.375g/mol
Monoisotopic Mass:
292.167g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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