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1255666-86-4 | 1,3-Piperidinedicarboxylic acid, 5,5-difluoro-, 1-(1,1-dimethylethyl) ester
CAS No: 1255666-86-4 Catalog No: AG000NVM MDL No:MFCD18433630
Product Description
Catalog Number:
AG000NVM
Chemical Name:
1,3-Piperidinedicarboxylic acid, 5,5-difluoro-, 1-(1,1-dimethylethyl) ester
CAS Number:
1255666-86-4
Molecular Formula:
C11H16F2NO4-
Molecular Weight:
264.2458
MDL Number:
MFCD18433630
IUPAC Name:
5,5-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
InChI:
InChI=1S/C11H17F2NO4/c1-10(2,3)18-9(17)14-5-7(8(15)16)4-11(12,13)6-14/h7H,4-6H2,1-3H3,(H,15,16)
InChI Key:
MSNKMLCRSUWLHZ-UHFFFAOYSA-N
SMILES:
[O-]C(=O)C1CN(CC(C1)(F)F)C(=O)OC(C)(C)C
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.113g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
265.257g/mol
Monoisotopic Mass:
265.113g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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