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15910-12-0 | 2-Butene-1,1,4-triol, 1,1,4-triacetate
CAS No: 15910-12-0 Catalog No: AG001QH5 MDL No:
Product Description
Catalog Number:
AG001QH5
Chemical Name:
2-Butene-1,1,4-triol, 1,1,4-triacetate
CAS Number:
15910-12-0
Molecular Formula:
C10H14O6
Molecular Weight:
230.2146
IUPAC Name:
acetic acid;but-2-ene-1,1,4-triol
InChI:
InChI=1S/C4H8O3.3C2H4O2/c5-3-1-2-4(6)7;3*1-2(3)4/h1-2,4-7H,3H2;3*1H3,(H,3,4)
InChI Key:
HXXGOPSEAKKGJS-UHFFFAOYSA-N
SMILES:
CC(=O)OCC=CC(OC(=O)C)OC(=O)C
Properties
Complexity:
89
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.111g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
284.261g/mol
Monoisotopic Mass:
284.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
173A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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