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497163-88-9 | 1-(4-FLUOROBENZOYL)-4-HYDROXY-2-PYRROLIDINECARBOXYLIC ACID
CAS No: 497163-88-9 Catalog No: AG00D87E MDL No:MFCD00202775
Product Description
Catalog Number:
AG00D87E
Chemical Name:
1-(4-FLUOROBENZOYL)-4-HYDROXY-2-PYRROLIDINECARBOXYLIC ACID
CAS Number:
497163-88-9
Molecular Formula:
C12H12FNO4
Molecular Weight:
253.2264
MDL Number:
MFCD00202775
IUPAC Name:
1-(4-fluorobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C12H12FNO4/c13-8-3-1-7(2-4-8)11(16)14-6-9(15)5-10(14)12(17)18/h1-4,9-10,15H,5-6H2,(H,17,18)
InChI Key:
ZQKMWRGUSKTUKM-UHFFFAOYSA-N
SMILES:
OC1CN(C(C1)C(=O)O)C(=O)c1ccc(cc1)F
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.075g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
253.229g/mol
Monoisotopic Mass:
253.075g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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