Home Other Building Blocks 2-Butene-1,4-diol, 1,4-diacetate, (2E)-

2-Butene-1,4-diol, 1,4-diacetate, (2E)-

CAS No.:
1576-98-3
Catalog Number:
AG001PJN
Molecular Formula:
C8H12O4
Molecular Weight:
172.1785
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Product Description
Catalog Number:
AG001PJN
Chemical Name:
2-Butene-1,4-diol, 1,4-diacetate, (2E)-
CAS Number:
1576-98-3
Molecular Formula:
C8H12O4
Molecular Weight:
172.1785
MDL Number:
MFCD00077968
IUPAC Name:
[(E)-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-ONEGZZNKSA-N
SMILES:
CC(=O)OC/C=C/COC(=O)C
EC Number:
606-075-1
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  
Properties