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2055841-05-7 | Cyclopropanecarboxylic acid, 2-(3-ethoxy-4-fluorophenyl)-, (1R,2R)-rel-
CAS No: 2055841-05-7 Catalog No: AG002A87 MDL No:
Product Description
Catalog Number:
AG002A87
Chemical Name:
Cyclopropanecarboxylic acid, 2-(3-ethoxy-4-fluorophenyl)-, (1R,2R)-rel-
CAS Number:
2055841-05-7
Molecular Formula:
C12H13FO3
Molecular Weight:
224.2282
IUPAC Name:
(1R,2R)-2-(3-ethoxy-4-fluorophenyl)cyclopropane-1-carboxylic acid
InChI:
InChI=1S/C12H13FO3/c1-2-16-11-5-7(3-4-10(11)13)8-6-9(8)12(14)15/h3-5,8-9H,2,6H2,1H3,(H,14,15)/t8-,9+/m0/s1
InChI Key:
SFPGDNUXEIEYEY-DTWKUNHWSA-N
SMILES:
CCOc1cc(ccc1F)[C@@H]1C[C@H]1C(=O)O
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
224.085g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.231g/mol
Monoisotopic Mass:
224.085g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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