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130521-05-0 | Glutamic acid, 3,3-difluoro-
CAS No: 130521-05-0 Catalog No: AG000UKK MDL No:
Product Description
Catalog Number:
AG000UKK
Chemical Name:
Glutamic acid, 3,3-difluoro-
CAS Number:
130521-05-0
Molecular Formula:
C5H7F2NO4
Molecular Weight:
183.1102
IUPAC Name:
2-amino-3,3-difluoropentanedioic acid
InChI:
InChI=1S/C5H7F2NO4/c6-5(7,1-2(9)10)3(8)4(11)12/h3H,1,8H2,(H,9,10)(H,11,12)
InChI Key:
HJJKSOSDUQANSX-UHFFFAOYSA-N
SMILES:
OC(=O)CC([C@@H](C(=O)O)N)(F)F
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.034g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
183.111g/mol
Monoisotopic Mass:
183.034g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.2
Literature
| Title | Journal |
|---|---|
| Catalytic route to the synthesis of optically active beta,beta-difluoroglutamic acid and beta,beta-difluoroproline derivatives. | The Journal of organic chemistry 20040723 |
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