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1313738-62-3 | 3-Azetidineacetic acid, methyl ester, 2,2,2-trifluoroacetate (1:1)
CAS No: 1313738-62-3 Catalog No: AG000W18 MDL No:MFCD18425634
Product Description
Catalog Number:
AG000W18
Chemical Name:
3-Azetidineacetic acid, methyl ester, 2,2,2-trifluoroacetate (1:1)
CAS Number:
1313738-62-3
Molecular Formula:
C8H12F3NO4
Molecular Weight:
243.1804
MDL Number:
MFCD18425634
IUPAC Name:
methyl 2-(azetidin-3-yl)acetate;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C6H11NO2.C2HF3O2/c1-9-6(8)2-5-3-7-4-5;3-2(4,5)1(6)7/h5,7H,2-4H2,1H3;(H,6,7)
InChI Key:
IIHOAEAWZALALH-UHFFFAOYSA-N
SMILES:
OC(=O)C(F)(F)F.COC(=O)CC1CNC1
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.072g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
243.182g/mol
Monoisotopic Mass:
243.072g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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