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1217626-91-9 | 1,2-Pyrrolidinedicarboxylic acid, 2-[(3,4-difluorophenyl)methyl]-, 1-(1,1-dimethylethyl) ester, (2S)-
CAS No: 1217626-91-9 Catalog No: AG0015U5 MDL No:MFCD06796792
Product Description
Catalog Number:
AG0015U5
Chemical Name:
1,2-Pyrrolidinedicarboxylic acid, 2-[(3,4-difluorophenyl)methyl]-, 1-(1,1-dimethylethyl) ester, (2S)-
CAS Number:
1217626-91-9
Molecular Formula:
C17H20F2NO4-
Molecular Weight:
340.3418
MDL Number:
MFCD06796792
IUPAC Name:
(2S)-2-[(3,4-difluorophenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C17H21F2NO4/c1-16(2,3)24-15(23)20-8-4-7-17(20,14(21)22)10-11-5-6-12(18)13(19)9-11/h5-6,9H,4,7-8,10H2,1-3H3,(H,21,22)/t17-/m0/s1
InChI Key:
UOBIEKXTHCSFGK-KRWDZBQOSA-N
SMILES:
O=C(N1CCC[C@]1(Cc1ccc(c(c1)F)F)C(=O)[O-])OC(C)(C)C
Properties
Complexity:
494
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
341.144g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
341.355g/mol
Monoisotopic Mass:
341.144g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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