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25260-60-0 | (Z);-But-2-ene-1,4-diyl diacetate
CAS No: 25260-60-0 Catalog No: AG003OXI MDL No:MFCD00059339
Product Description
Catalog Number:
AG003OXI
Chemical Name:
(Z);-But-2-ene-1,4-diyl diacetate
CAS Number:
25260-60-0
Molecular Formula:
C8H12O4
Molecular Weight:
172.1785
MDL Number:
MFCD00059339
IUPAC Name:
[(Z)-4-acetyloxybut-2-enyl] acetate
InChI:
InChI=1S/C8H12O4/c1-7(9)11-5-3-4-6-12-8(2)10/h3-4H,5-6H2,1-2H3/b4-3-
InChI Key:
VZUAUHWZIKOMFC-ARJAWSKDSA-N
SMILES:
CC(=O)OC/C=C\COC(=O)C
EC Number:
607-674-0
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
172.074g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.18g/mol
Monoisotopic Mass:
172.074g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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