Decyl hydrogen phthalate

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Catalog Number
ACM24539604-1
Product Name
Decyl hydrogen phthalate
CAS
24539-60-4
Category
Heterocyclic Organic Compound
Synonyms
Monodecyl phthalate
IUPAC Name
2-Decoxycarbonylbenzoic acid
Molecular Weight
306.4
Molecular Formula
C18H26O4
Canonical SMILES
CCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)O
InChI
InChI=1S/C18H26O4/c1-2-3-4-5-6-7-8-11-14-22-18(21)16-13-10-9-12-15(16)17(19)20/h9-10,12-13H,2-8,11,14H2,1H3,(H,19,20)
InChI Key
FEFCILUKYGHITK-UHFFFAOYSA-N
Boiling Point
268.5-269.5 °C
Melting Point
55-56 °C
Flash Point
151.1ºC
Density
0.9329 g/cm3
Complexity
327
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
306.18310931
Formal Charge
0
H-Bond Acceptor
4
H-Bond Donor
1
Heavy Atom Count
22
Hydrogen Bond Acceptor Count
4
Hydrogen Bond Donor Count
1
Isotope Atom Count
0
Monoisotopic Mass
306.18310931
Rotatable Bond Count
12
Topological Polar Surface Area
63.6 Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
MSDS
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COA
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Spec Sheet
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