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190774-45-9 | 3-Cyclobutene-1,2-dione, 3-(1,1-dimethylethoxy)-4-methoxy-
CAS No: 190774-45-9 Catalog No: AG002ESM MDL No:
Product Description
Catalog Number:
AG002ESM
Chemical Name:
3-Cyclobutene-1,2-dione, 3-(1,1-dimethylethoxy)-4-methoxy-
CAS Number:
190774-45-9
Molecular Formula:
C9H12O4
Molecular Weight:
184.1892
IUPAC Name:
3-methoxy-4-[(2-methylpropan-2-yl)oxy]cyclobut-3-ene-1,2-dione
InChI:
InChI=1S/C9H12O4/c1-9(2,3)13-8-6(11)5(10)7(8)12-4/h1-4H3
InChI Key:
HAJCPXSAUATNER-UHFFFAOYSA-N
SMILES:
COC1=C(C(=O)C1=O)OC(C)(C)C
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.074g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.191g/mol
Monoisotopic Mass:
184.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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