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115425-81-5 | Propanol, [(1-methyl-1,2-ethanediyl)bis(oxy)]bis-, dibenzoate (9CI)
CAS No: 115425-81-5 Catalog No: AG000FYQ MDL No:
Product Description
Catalog Number:
AG000FYQ
Chemical Name:
Propanol, [(1-methyl-1,2-ethanediyl)bis(oxy)]bis-, dibenzoate (9CI)
CAS Number:
115425-81-5
Molecular Formula:
C23H32O8
Molecular Weight:
436.4954
IUPAC Name:
benzoic acid;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol
InChI:
InChI=1S/C9H20O4.2C7H6O2/c1-7(11)5-12-9(3)6-13-8(2)4-10;2*8-7(9)6-4-2-1-3-5-6/h7-11H,4-6H2,1-3H3;2*1-5H,(H,8,9)
InChI Key:
QEKIIVZMSZKWTG-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1.OC(=O)c1ccccc1.OCCCOCC(OCCCO)C
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
436.21g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
436.501g/mol
Monoisotopic Mass:
436.21g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
134A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
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