200,000+ products from a single source!
sales@angenechem.com
Home > Carboxes > 1020719-23-6
1020719-23-6 | 2-Butyne-1,1,4,4-d4-1,4-diol, 1,4-diacetate
CAS No: 1020719-23-6 Catalog No: AG0006JT MDL No:
Product Description
Catalog Number:
AG0006JT
Chemical Name:
2-Butyne-1,1,4,4-d4-1,4-diol, 1,4-diacetate
CAS Number:
1020719-23-6
Molecular Formula:
C8H6D4O4
Molecular Weight:
174.1872
IUPAC Name:
(4-acetyloxy-1,1,4,4-tetradeuteriobut-2-ynyl) acetate
InChI:
InChI=1S/C8H10O4/c1-7(9)11-5-3-4-6-12-8(2)10/h5-6H2,1-2H3/i5D2,6D2
InChI Key:
TVIMIQVBDDNCCR-NZLXMSDQSA-N
SMILES:
C([2H])(OC(=O)C)(C#CC(OC(=O)C)([2H])[2H])[2H]
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.083g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
4
Molecular Weight:
174.188g/mol
Monoisotopic Mass:
174.083g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.