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1780909-55-8 | 3-Oxetanecarboxylic acid, 3-(1,1-difluoroethyl)-
CAS No: 1780909-55-8 Catalog No: AG0025QW MDL No:
Product Description
Catalog Number:
AG0025QW
Chemical Name:
3-Oxetanecarboxylic acid, 3-(1,1-difluoroethyl)-
CAS Number:
1780909-55-8
Molecular Formula:
C6H8F2O3
Molecular Weight:
166.1227
IUPAC Name:
3-(1,1-difluoroethyl)oxetane-3-carboxylic acid
InChI:
InChI=1S/C6H8F2O3/c1-5(7,8)6(4(9)10)2-11-3-6/h2-3H2,1H3,(H,9,10)
InChI Key:
UDBAWMACWWGZTN-UHFFFAOYSA-N
SMILES:
OC(=O)C1(COC1)C(F)(F)C
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.044g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
166.124g/mol
Monoisotopic Mass:
166.044g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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