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102-76-1 | 1,2,3-Propanetriol, 1,2,3-triacetate
CAS No: 102-76-1 Catalog No: AG00069I MDL No:MFCD00008716
Product Description
Catalog Number:
AG00069I
Chemical Name:
1,2,3-Propanetriol, 1,2,3-triacetate
CAS Number:
102-76-1
Molecular Formula:
C9H14O6
Molecular Weight:
218.2039
MDL Number:
MFCD00008716
IUPAC Name:
2,3-diacetyloxypropyl acetate
InChI:
InChI=1S/C9H14O6/c1-6(10)13-4-9(15-8(3)12)5-14-7(2)11/h9H,4-5H2,1-3H3
InChI Key:
URAYPUMNDPQOKB-UHFFFAOYSA-N
SMILES:
CC(=O)OC(COC(=O)C)COC(=O)C
EC Number:
203-051-9
UNII:
XHX3C3X673
FEMA Number:
2007
RTECS Number:
AK3675000
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.205g/mol
Monoisotopic Mass:
218.079g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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