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1408076-23-2 | 3-Azetidinol, 3-ethynyl-, 2,2,2-trifluoroacetate (1:1)
CAS No: 1408076-23-2 Catalog No: AG001CUI MDL No:MFCD23106001
Product Description
Catalog Number:
AG001CUI
Chemical Name:
3-Azetidinol, 3-ethynyl-, 2,2,2-trifluoroacetate (1:1)
CAS Number:
1408076-23-2
Molecular Formula:
C7H8F3NO3
Molecular Weight:
211.1385
MDL Number:
MFCD23106001
IUPAC Name:
3-ethynylazetidin-3-ol;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C5H7NO.C2HF3O2/c1-2-5(7)3-6-4-5;3-2(4,5)1(6)7/h1,6-7H,3-4H2;(H,6,7)
InChI Key:
PBJDPHQBGYPGRR-UHFFFAOYSA-N
SMILES:
OC(=O)C(F)(F)F.C#CC1(O)CNC1
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.046g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
211.14g/mol
Monoisotopic Mass:
211.046g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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