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116441-71-5 | 2-Cyclopropene-1,1-dicarboxylic acid, 2-butyl-, 1,1-diethyl ester
CAS No: 116441-71-5 Catalog No: AG000CIT MDL No:
Product Description
Catalog Number:
AG000CIT
Chemical Name:
2-Cyclopropene-1,1-dicarboxylic acid, 2-butyl-, 1,1-diethyl ester
CAS Number:
116441-71-5
Molecular Formula:
C13H20O4
Molecular Weight:
240.2955
IUPAC Name:
diethyl 2-butylcycloprop-2-ene-1,1-dicarboxylate
InChI:
InChI=1S/C13H20O4/c1-4-7-8-10-9-13(10,11(14)16-5-2)12(15)17-6-3/h9H,4-8H2,1-3H3
InChI Key:
ZSQNQEMTGDGJLV-UHFFFAOYSA-N
SMILES:
CCCCC1=CC1(C(=O)OCC)C(=O)OCC
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.136g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.299g/mol
Monoisotopic Mass:
240.136g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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