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101443-57-6 | Butanoic acid, 4,4-dibutoxy-, butyl ester
CAS No: 101443-57-6 Catalog No: AG0004IB MDL No:
Product Description
Catalog Number:
AG0004IB
Chemical Name:
Butanoic acid, 4,4-dibutoxy-, butyl ester
CAS Number:
101443-57-6
Molecular Formula:
C16H32O4
Molecular Weight:
288.4229
IUPAC Name:
butyl 4,4-dibutoxybutanoate
InChI:
InChI=1S/C16H32O4/c1-4-7-12-18-15(17)10-11-16(19-13-8-5-2)20-14-9-6-3/h16H,4-14H2,1-3H3
InChI Key:
BFRUFTRQPXERPA-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)CCC(OCCCC)OCCCC
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.23g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.428g/mol
Monoisotopic Mass:
288.23g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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