Home Carboxys (1S,2S)-Rel-2-(4-ethoxy-3-fluorophenyl)cyclopropane-1-carboxylic acid

(1S,2S)-Rel-2-(4-ethoxy-3-fluorophenyl)cyclopropane-1-carboxylic acid

CAS No.:
2055840-75-8
Catalog Number:
AG002A76
Molecular Formula:
C12H13FO3
Molecular Weight:
224.2282
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
1 week
United States
$374
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Product Description
Catalog Number:
AG002A76
Chemical Name:
(1S,2S)-Rel-2-(4-ethoxy-3-fluorophenyl)cyclopropane-1-carboxylic acid
CAS Number:
2055840-75-8
Molecular Formula:
C12H13FO3
Molecular Weight:
224.2282
MDL Number:
MFCD30531386
IUPAC Name:
(1S,2S)-2-(4-ethoxy-3-fluorophenyl)cyclopropane-1-carboxylic acid
InChI:
InChI=1S/C12H13FO3/c1-2-16-11-4-3-7(5-10(11)13)8-6-9(8)12(14)15/h3-5,8-9H,2,6H2,1H3,(H,14,15)/t8-,9+/m1/s1
InChI Key:
OKKIOWQOTCYRRS-BDAKNGLRSA-N
SMILES:
CCOc1ccc(cc1F)[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  
Properties