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2892-62-8 | 3-Cyclobutene-1,2-dione, 3,4-dibutoxy-
CAS No: 2892-62-8 Catalog No: AG002X36 MDL No:MFCD00037150
Product Description
Catalog Number:
AG002X36
Chemical Name:
3-Cyclobutene-1,2-dione, 3,4-dibutoxy-
CAS Number:
2892-62-8
Molecular Formula:
C12H18O4
Molecular Weight:
226.2689
MDL Number:
MFCD00037150
IUPAC Name:
3,4-dibutoxycyclobut-3-ene-1,2-dione
InChI:
InChI=1S/C12H18O4/c1-3-5-7-15-11-9(13)10(14)12(11)16-8-6-4-2/h3-8H2,1-2H3
InChI Key:
XBRWELTXMQSEIN-UHFFFAOYSA-N
SMILES:
CCCCOC1=C(C(=O)C1=O)OCCCC
UNII:
4RTO57VG65
NSC Number:
113489
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.121g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.272g/mol
Monoisotopic Mass:
226.121g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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