Home Other Building Blocks 3-(3-hydroxypropyl)pyrrolidin-2-one, trifluoroacetic acid

3-(3-hydroxypropyl)pyrrolidin-2-one, trifluoroacetic acid

CAS No.:
1989659-20-2
Catalog Number:
AG01B6RH
Molecular Formula:
C9H14F3NO4
Molecular Weight:
257.2070
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Product Description
Catalog Number:
AG01B6RH
Chemical Name:
3-(3-hydroxypropyl)pyrrolidin-2-one, trifluoroacetic acid
CAS Number:
1989659-20-2
Molecular Formula:
C9H14F3NO4
Molecular Weight:
257.2070
MDL Number:
MFCD30342917
IUPAC Name:
3-(3-hydroxypropyl)pyrrolidin-2-one;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C7H13NO2.C2HF3O2/c9-5-1-2-6-3-4-8-7(6)10;3-2(4,5)1(6)7/h6,9H,1-5H2,(H,8,10);(H,6,7)
InChI Key:
ZUTTVKCCPHJZSC-UHFFFAOYSA-N
SMILES:
OC(=O)C(F)(F)F.OCCCC1CCNC1=O
Properties
Complexity:
208  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.087g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
257.209g/mol
Monoisotopic Mass:
257.087g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
86.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties