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18085-02-4 | 3-Butene-1,2-diol, 1,2-diacetate
CAS No: 18085-02-4 Catalog No: AG0022E4 MDL No:MFCD00143056
Product Description
Catalog Number:
AG0022E4
Chemical Name:
3-Butene-1,2-diol, 1,2-diacetate
CAS Number:
18085-02-4
Molecular Formula:
C8H12O4
Molecular Weight:
172.1785
MDL Number:
MFCD00143056
IUPAC Name:
2-acetyloxybut-3-enyl acetate
InChI:
InChI=1S/C8H12O4/c1-4-8(12-7(3)10)5-11-6(2)9/h4,8H,1,5H2,2-3H3
InChI Key:
MWWXARALRVYLAE-UHFFFAOYSA-N
SMILES:
C=CC(OC(=O)C)COC(=O)C
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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