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150620-32-9 | Butanoic acid, 4-(acetyloxy)-, anhydride with 4-(acetyloxy)butanoic acid
CAS No: 150620-32-9 Catalog No: AG001MSE MDL No:
Product Description
Catalog Number:
AG001MSE
Chemical Name:
Butanoic acid, 4-(acetyloxy)-, anhydride with 4-(acetyloxy)butanoic acid
CAS Number:
150620-32-9
Molecular Formula:
C12H18O7
Molecular Weight:
274.2671
IUPAC Name:
4-acetyloxybutanoyl 4-acetyloxybutanoate
InChI:
InChI=1S/C12H18O7/c1-9(13)17-7-3-5-11(15)19-12(16)6-4-8-18-10(2)14/h3-8H2,1-2H3
InChI Key:
XJAILBPEAYQACO-UHFFFAOYSA-N
SMILES:
O=C(OC(=O)CCCOC(=O)C)CCCOC(=O)C
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.105g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.269g/mol
Monoisotopic Mass:
274.105g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
96A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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