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115-72-0 | 1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, 1,2,3-tri-2-propen-1-yl ester
CAS No: 115-72-0 Catalog No: AG000FKK MDL No:MFCD00048179
Product Description
Catalog Number:
AG000FKK
Chemical Name:
1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, 1,2,3-tri-2-propen-1-yl ester
CAS Number:
115-72-0
Molecular Formula:
C17H22O8
Molecular Weight:
354.3518
MDL Number:
MFCD00048179
IUPAC Name:
tris(prop-2-enyl) 2-acetyloxypropane-1,2,3-tricarboxylate
InChI:
InChI=1S/C17H22O8/c1-5-8-22-14(19)11-17(25-13(4)18,16(21)24-10-7-3)12-15(20)23-9-6-2/h5-7H,1-3,8-12H2,4H3
InChI Key:
CHNHTNNNKPKJOL-UHFFFAOYSA-N
SMILES:
C=CCOC(=O)C(OC(=O)C)(CC(=O)OCC=C)CC(=O)OCC=C
UNII:
V4H13E7J1P
Properties
Complexity:
509
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.131g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
354.355g/mol
Monoisotopic Mass:
354.131g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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