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88465-83-2 | 1,4-Pentadiene-1,5-diol, diacetate
CAS No: 88465-83-2 Catalog No: AG004CLF MDL No:
Product Description
Catalog Number:
AG004CLF
Chemical Name:
1,4-Pentadiene-1,5-diol, diacetate
CAS Number:
88465-83-2
Molecular Formula:
C9H16O6
Molecular Weight:
220.2197
IUPAC Name:
acetic acid;penta-1,4-diene-1,5-diol
InChI:
InChI=1S/C5H8O2.2C2H4O2/c6-4-2-1-3-5-7;2*1-2(3)4/h2-7H,1H2;2*1H3,(H,3,4)
InChI Key:
HUMYEIMRLZAKRI-UHFFFAOYSA-N
SMILES:
CC(=O)O.CC(=O)O.OC=CCC=CO
Properties
Complexity:
95.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
220.221g/mol
Monoisotopic Mass:
220.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
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