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1260807-59-7 | 4-Pentenoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-2-(trifluoromethyl)-
CAS No: 1260807-59-7 Catalog No: AG000RD6 MDL No:
Product Description
Catalog Number:
AG000RD6
Chemical Name:
4-Pentenoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-2-(trifluoromethyl)-
CAS Number:
1260807-59-7
Molecular Formula:
C11H16F3NO4
Molecular Weight:
283.2442
IUPAC Name:
2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(trifluoromethyl)pent-4-enoic acid
InChI:
InChI=1S/C11H16F3NO4/c1-5-6-10(7(16)17,11(12,13)14)15-8(18)19-9(2,3)4/h5H,1,6H2,2-4H3,(H,15,18)(H,16,17)
InChI Key:
BPXIPZOEAXQHNJ-UHFFFAOYSA-N
SMILES:
C=CCC(C(F)(F)F)(C(=O)O)NC(=O)OC(C)(C)C
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.103g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
283.247g/mol
Monoisotopic Mass:
283.103g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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