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102683-52-3 | 3-Cyclobutene-1,2-dione, 3-butyl-4-methoxy-
CAS No: 102683-52-3 Catalog No: AG000840 MDL No:
Product Description
Catalog Number:
AG000840
Chemical Name:
3-Cyclobutene-1,2-dione, 3-butyl-4-methoxy-
CAS Number:
102683-52-3
Molecular Formula:
C9H12O3
Molecular Weight:
168.1898
IUPAC Name:
3-butyl-4-methoxycyclobut-3-ene-1,2-dione
InChI:
InChI=1S/C9H12O3/c1-3-4-5-6-7(10)8(11)9(6)12-2/h3-5H2,1-2H3
InChI Key:
HQYVBGIRQSCYGF-UHFFFAOYSA-N
SMILES:
CCCCC1=C(C(=O)C1=O)OC
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.079g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.192g/mol
Monoisotopic Mass:
168.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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