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874190-22-4 | 1,2-Propanediol, 3-[(2-ethylhexyl)oxy]-, diacetate
CAS No: 874190-22-4 Catalog No: AG004GE5 MDL No:
Product Description
Catalog Number:
AG004GE5
Chemical Name:
1,2-Propanediol, 3-[(2-ethylhexyl)oxy]-, diacetate
CAS Number:
874190-22-4
Molecular Formula:
C15H32O7
Molecular Weight:
324.4104
IUPAC Name:
acetic acid;3-(2-ethylhexoxy)propane-1,2-diol
InChI:
InChI=1S/C11H24O3.2C2H4O2/c1-3-5-6-10(4-2)8-14-9-11(13)7-12;2*1-2(3)4/h10-13H,3-9H2,1-2H3;2*1H3,(H,3,4)
InChI Key:
HVGUIXDDRHDKPW-UHFFFAOYSA-N
SMILES:
CC(=O)O.CC(=O)O.CCCCC(COCC(CO)O)CC
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.215g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
324.414g/mol
Monoisotopic Mass:
324.215g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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