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1269755-11-4 | 1,3-Pyrrolidinedicarboxylic acid, 4-fluoro-, 1-(phenylmethyl) ester, (3R,4S)-
CAS No: 1269755-11-4 Catalog No: AG000WHG MDL No:MFCD22573909
Product Description
Catalog Number:
AG000WHG
Chemical Name:
1,3-Pyrrolidinedicarboxylic acid, 4-fluoro-, 1-(phenylmethyl) ester, (3R,4S)-
CAS Number:
1269755-11-4
Molecular Formula:
C13H13FNO4-
Molecular Weight:
266.2450
MDL Number:
MFCD22573909
IUPAC Name:
(3R,4S)-4-fluoro-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C13H14FNO4/c14-11-7-15(6-10(11)12(16)17)13(18)19-8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,16,17)/t10-,11+/m0/s1
InChI Key:
JQGKTZMTJXSICS-WDEREUQCSA-N
SMILES:
O=C(N1C[C@@H]([C@@H](C1)F)C(=O)[O-])OCc1ccccc1
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
267.091g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
267.256g/mol
Monoisotopic Mass:
267.091g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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