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139-45-7 | Propane-1,2,3-triyl tripropionate
CAS No: 139-45-7 Catalog No: AG003V6D MDL No:MFCD00027005
Product Description
Catalog Number:
AG003V6D
Chemical Name:
Propane-1,2,3-triyl tripropionate
CAS Number:
139-45-7
Molecular Formula:
C12H20O6
Molecular Weight:
260.2836
MDL Number:
MFCD00027005
IUPAC Name:
2,3-di(propanoyloxy)propyl propanoate
InChI:
InChI=1S/C12H20O6/c1-4-10(13)16-7-9(18-12(15)6-3)8-17-11(14)5-2/h9H,4-8H2,1-3H3
InChI Key:
YZWRNSARCRTXDS-UHFFFAOYSA-N
SMILES:
CCC(=O)OC(COC(=O)CC)COC(=O)CC
EC Number:
205-365-1
UNII:
F8L8EVQ6QB
NSC Number:
36744
FEMA Number:
3286
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.126g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.286g/mol
Monoisotopic Mass:
260.126g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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