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116195-48-3 | Ethyl 1-Benzoylcyclopropanecarboxylate
CAS No: 116195-48-3 Catalog No: AG01FCJ5 MDL No:
Product Description
Catalog Number:
AG01FCJ5
Chemical Name:
Ethyl 1-Benzoylcyclopropanecarboxylate
CAS Number:
116195-48-3
Molecular Formula:
C13H14O3
Molecular Weight:
218.2485
IUPAC Name:
ethyl 1-benzoylcyclopropane-1-carboxylate
InChI:
InChI=1S/C13H14O3/c1-2-16-12(15)13(8-9-13)11(14)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChI Key:
BSICOONDGJJXCW-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1(CC1)C(=O)c1ccccc1
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.094g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.252g/mol
Monoisotopic Mass:
218.094g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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