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13051-30-4 | 1,3-Propanediol, 2-[(acetyloxy)methyl]-2-(hydroxymethyl)-, 1,3-diacetate
CAS No: 13051-30-4 Catalog No: AG000UJ6 MDL No:
Product Description
Catalog Number:
AG000UJ6
Chemical Name:
1,3-Propanediol, 2-[(acetyloxy)methyl]-2-(hydroxymethyl)-, 1,3-diacetate
CAS Number:
13051-30-4
Molecular Formula:
C11H18O7
Molecular Weight:
262.2564
IUPAC Name:
acetic acid;[2-(acetyloxymethyl)-3-hydroxy-2-(hydroxymethyl)propyl] acetate
InChI:
InChI=1S/C9H16O6.C2H4O2/c1-7(12)14-5-9(3-10,4-11)6-15-8(2)13;1-2(3)4/h10-11H,3-6H2,1-2H3;1H3,(H,3,4)
InChI Key:
VMOQUKPFYMRNIP-UHFFFAOYSA-N
SMILES:
OCC(COC(=O)C)(COC(=O)C)COC(=O)C
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.116g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
280.273g/mol
Monoisotopic Mass:
280.116g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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