Bis(1-methylpentyl) Phthalate - CAS 59431-97-9
Catalog: |
BB072852 |
Product Name: |
Bis(1-methylpentyl) Phthalate |
CAS: |
59431-97-9 |
Synonyms: |
dihexan-2-yl benzene-1,2-dicarboxylate; Di(hexan-2-yl) phthalate; Bis(1-methylpentyl) Phthalate; bis-2-hexyl phthalate |
IUPAC Name: | dihexan-2-yl benzene-1,2-dicarboxylate |
Molecular Weight: | 334.45 |
Molecular Formula: | C20H30O4 |
Canonical SMILES: | CCCCC(C)OC(=O)C1=CC=CC=C1C(=O)OC(C)CCCC |
InChI: | InChI=1S/C20H30O4/c1-5-7-11-15(3)23-19(21)17-13-9-10-14-18(17)20(22)24-16(4)12-8-6-2/h9-10,13-16H,5-8,11-12H2,1-4H3 |
InChI Key: | RLAJCUPLBIEJFA-UHFFFAOYSA-N |
Complexity: | 344 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 334.21440943 |
Formal Charge: | 0 |
Heavy Atom Count: | 24 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 334.21440943 |
Rotatable Bond Count: | 12 |
Topological Polar Surface Area: | 52.6Ų |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 5.7 |
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