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123351-67-7 | 1,2,4-Butanetriol, 3-[(acetyloxy)methyl]-, 1,2,4-triacetate
CAS No: 123351-67-7 Catalog No: AG000KFZ MDL No:
Product Description
Catalog Number:
AG000KFZ
Chemical Name:
1,2,4-Butanetriol, 3-[(acetyloxy)methyl]-, 1,2,4-triacetate
CAS Number:
123351-67-7
Molecular Formula:
C13H20O8
Molecular Weight:
304.2931
IUPAC Name:
acetic acid;[3,4-dihydroxy-2-(hydroxymethyl)butyl] acetate
InChI:
InChI=1S/C7H14O5.3C2H4O2/c1-5(10)12-4-6(2-8)7(11)3-9;3*1-2(3)4/h6-9,11H,2-4H2,1H3;3*1H3,(H,3,4)
InChI Key:
LSDJATNYIZKYFY-UHFFFAOYSA-N
SMILES:
CC(=O)OCC(C(COC(=O)C)COC(=O)C)OC(=O)C
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.148g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
358.34g/mol
Monoisotopic Mass:
358.148g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
199A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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