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146472-39-1 | Propanol, oxybis-, dipropanoate (9CI)
CAS No: 146472-39-1 Catalog No: AG001E2D MDL No:
Product Description
Catalog Number:
AG001E2D
Chemical Name:
Propanol, oxybis-, dipropanoate (9CI)
CAS Number:
146472-39-1
Molecular Formula:
C12H26O7
Molecular Weight:
282.3306
IUPAC Name:
3-(3-hydroxypropoxy)propan-1-ol;propanoic acid
InChI:
InChI=1S/C6H14O3.2C3H6O2/c7-3-1-5-9-6-2-4-8;2*1-2-3(4)5/h7-8H,1-6H2;2*2H2,1H3,(H,4,5)
InChI Key:
NRGPPGNBDMJOAU-UHFFFAOYSA-N
SMILES:
CCC(=O)O.CCC(=O)O.OCCCOCCCO
Properties
Complexity:
81.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.168g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
282.333g/mol
Monoisotopic Mass:
282.168g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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