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14835-47-3 | 1,2,4-Butanetriol, 1,2,4-triacetate
CAS No: 14835-47-3 Catalog No: AG001FMP MDL No:
Product Description
Catalog Number:
AG001FMP
Chemical Name:
1,2,4-Butanetriol, 1,2,4-triacetate
CAS Number:
14835-47-3
Molecular Formula:
C10H16O6
Molecular Weight:
232.2304
IUPAC Name:
acetic acid;butane-1,2,4-triol
InChI:
InChI=1S/C4H10O3.3C2H4O2/c5-2-1-4(7)3-6;3*1-2(3)4/h4-7H,1-3H2;3*1H3,(H,3,4)
InChI Key:
KSBRZXVEBZAKGC-UHFFFAOYSA-N
SMILES:
CC(=O)OC(COC(=O)C)CCOC(=O)C
Properties
Complexity:
68.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.126g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
286.277g/mol
Monoisotopic Mass:
286.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
173A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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