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89407-94-3 | Cyclopropanecarboxylic acid, 2-ethyl-1-phenyl-, ethyl ester
CAS No: 89407-94-3 Catalog No: AG004ND7 MDL No:
Product Description
Catalog Number:
AG004ND7
Chemical Name:
Cyclopropanecarboxylic acid, 2-ethyl-1-phenyl-, ethyl ester
CAS Number:
89407-94-3
Molecular Formula:
C14H18O2
Molecular Weight:
218.2915
IUPAC Name:
ethyl 2-ethyl-1-phenylcyclopropane-1-carboxylate
InChI:
InChI=1S/C14H18O2/c1-3-11-10-14(11,13(15)16-4-2)12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3
InChI Key:
XJXWWABCYZIVGU-UHFFFAOYSA-N
SMILES:
CCC1CC1(C(=O)OCC)c1ccccc1
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.131g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.296g/mol
Monoisotopic Mass:
218.131g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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