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6117-80-2 | (Z)-2-Butene-1,4-Diol
CAS No: 6117-80-2 Catalog No: AG0032HT MDL No:MFCD00002924
Product Description
Catalog Number:
AG0032HT
Chemical Name:
(Z)-2-Butene-1,4-Diol
CAS Number:
6117-80-2
Molecular Formula:
C4H8O2
Molecular Weight:
88.1051
MDL Number:
MFCD00002924
IUPAC Name:
(Z)-but-2-ene-1,4-diol
InChI:
InChI=1S/C4H8O2/c5-3-1-2-4-6/h1-2,5-6H,3-4H2/b2-1-
InChI Key:
ORTVZLZNOYNASJ-UPHRSURJSA-N
SMILES:
OC/C=C\CO
UNII:
ZA7VGU6SCV
Properties
Complexity:
34.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
88.052g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
88.106g/mol
Monoisotopic Mass:
88.052g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
Literature
| Title | Journal |
|---|---|
| Access to oxetane-containing psico-nucleosides from 2-methyleneoxetanes: a role for neighboring group participation? | The Journal of organic chemistry 20111216 |
| Polycondensation of butenediol: synthesis of telechelic 2-butene-1,4-diol oligomers. | Journal of the American Chemical Society 20111019 |
| Calculation of electric dipole intensity parameter to explore some interaction between hard metal ions Pr(III) and Nd(III) with pi-electron density of butene-1,4 and butyne-1,4-diols in non-aqueous solutions: an absorption spectral study. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20060101 |
| [Research on the modification of Kevlar fiber by polypropylene glycol and cis-2-butene-1,4-diol]. | Guang pu xue yu guang pu fen xi = Guang pu 20050301 |
| Separation and identification of cis and trans isomers of 2-butene-1,4-diol and lafutidine by HPLC and LC-MS. | Journal of Zhejiang University. Science. B 20050101 |
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