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733740-38-0 | CIS-3-[2-(4-FLUOROPHENYL)-2-OXOETHYL]CYCLOPENTANE-1-CARBOXYLIC ACID
CAS No: 733740-38-0 Catalog No: AG005EJN MDL No:
Product Description
Catalog Number:
AG005EJN
Chemical Name:
CIS-3-[2-(4-FLUOROPHENYL)-2-OXOETHYL]CYCLOPENTANE-1-CARBOXYLIC ACID
CAS Number:
733740-38-0
Molecular Formula:
C14H15FO3
Molecular Weight:
250.2655
IUPAC Name:
(1S,3R)-3-[2-(4-fluorophenyl)-2-oxoethyl]cyclopentane-1-carboxylic acid
InChI:
InChI=1S/C14H15FO3/c15-12-5-3-10(4-6-12)13(16)8-9-1-2-11(7-9)14(17)18/h3-6,9,11H,1-2,7-8H2,(H,17,18)/t9-,11+/m1/s1
InChI Key:
YVXTYSJKOFDFRI-KOLCDFICSA-N
SMILES:
OC(=O)[C@H]1CC[C@H](C1)CC(=O)c1ccc(cc1)F
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
250.101g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.269g/mol
Monoisotopic Mass:
250.101g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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