AG002X36

2892-62-8 | 3-Cyclobutene-1,2-dione, 3,4-dibutoxy-

AG002X36

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CAS Number	2892-62-8
Catalog Number	AG002X36(AGN-PC-0JL6K4)
Chemical Name	3-Cyclobutene-1,2-dione, 3,4-dibutoxy-
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
MDL Number	MFCD00037150
Molecular Formula	C12H18O4
Molecular Weight	226.2689
NSC Number	113489
SMILES	O=C1C(C(OCCCC)=C1OCCCC)=O
UNII	4RTO57VG65
Synonyms	SADBE, squaric acid dibutyl ester, Dibutyl squarate, 2892-62-8, 3,4-dibutoxycyclobut-3-ene-1,2-dione, 3,4-Dibutoxy-3-cyclobutene-1,2-dione, Squaric acid dibutyl ester, SADBE, Squaric acid dibutylester, 3,4-di-n-Butoxy-3-cyclobutene-1,2-dione, UNII-4RTO57VG65, CHEBI:53612, 1,2-dibutyl squarate, 3-Cyclobutene-1,2-dione, 3,4-dibutoxy-, NSC 113489, 4RTO57VG65, XBRWELTXMQSEIN-UHFFFAOYSA-N, MFCD00037150, FR-0553, AK106214, Squaric acid dibutyl ester, 97%, di-n-butyl squarate, ACMC-209h5p, Epitope ID:115137, SCHEMBL56180, KSC562I1J, AC1L22M1, Jsp005522, CHEMBL2435707, CTK4G2414, KS-00000KHY, DTXSID30183113, ZINC1704225, ZX-AT026901, ANW-26507, NSC113489, SBB007902, AKOS002138099, DB12223, DS-3421, MCULE-6075224915, NSC-113489, OR26858, RTR-012681, VZ36901, 1,2-dibutoxy-1-cyclobutene-3,4-dione, 1,2-Dibutoxy-1-cyclobutene -3,4-dione, 3-Cyclobutene-1,2-dione,3,4-dibutoxy-, AC-22927, AJ-30573, CJ-06715, CJ-28804, P014, AB1010015, AX8033061, LS-182806, TL8006446, AM20090383, CS-0041921, D2203, EU-0099926, FT-0614214, ST50331241, A819679, C-27496, Di-n-butyl squarate; Squaric acid di-n-butyl ester, I14-4680, J-017327, Dibutylsquarate, C12H18O4, CID65108, C12-H18-O4, 3,4-Dibutoxy-3-cyclobutene-1,2-dione, 98%, 3,4-Dibutoxy-3-cyclobutene-1,2-dione, 98% - 1G 1g,

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

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H317-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number