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1573-17-7 | 2-Butyne-1,4-diol, 1,4-diacetate
CAS No: 1573-17-7 Catalog No: AG001PDA MDL No:MFCD00014982
Product Description
Catalog Number:
AG001PDA
Chemical Name:
2-Butyne-1,4-diol, 1,4-diacetate
CAS Number:
1573-17-7
Molecular Formula:
C8H10O4
Molecular Weight:
170.1626
MDL Number:
MFCD00014982
IUPAC Name:
4-acetyloxybut-2-ynyl acetate
InChI:
InChI=1S/C8H10O4/c1-7(9)11-5-3-4-6-12-8(2)10/h5-6H2,1-2H3
InChI Key:
TVIMIQVBDDNCCR-UHFFFAOYSA-N
SMILES:
CC(=O)OCC#CCOC(=O)C
EC Number:
216-394-4
NSC Number:
76565
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.058g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.164g/mol
Monoisotopic Mass:
170.058g/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
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