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26130-92-7 | 4,6-Tetradecadiene-8,10,12-triyne-1,3-diol, 1,3-diacetate, (4E,6E)-
CAS No: 26130-92-7 Catalog No: AG002RTE MDL No:
Product Description
Catalog Number:
AG002RTE
Chemical Name:
4,6-Tetradecadiene-8,10,12-triyne-1,3-diol, 1,3-diacetate, (4E,6E)-
CAS Number:
26130-92-7
Molecular Formula:
C18H18O4
Molecular Weight:
298.3331
IUPAC Name:
acetic acid;tetradeca-4,6-dien-8,10,12-triyne-1,3-diol
InChI:
InChI=1S/C14H14O2.2C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-14(16)12-13-15;2*1-2(3)4/h8-11,14-16H,12-13H2,1H3;2*1H3,(H,3,4)
InChI Key:
SMKULTXLFWISNF-UHFFFAOYSA-N
SMILES:
CC#CC#CC#C/C=C/C=C/C(OC(=O)C)CCOC(=O)C
Properties
Complexity:
474
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.142g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
334.368g/mol
Monoisotopic Mass:
334.142g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
2
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