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83583-40-8 | L-Glutamic acid, 5-(1,3-benzodioxol-5-ylmethyl) ester
CAS No: 83583-40-8 Catalog No: AG004YWA MDL No:
Product Description
Catalog Number:
AG004YWA
Chemical Name:
L-Glutamic acid, 5-(1,3-benzodioxol-5-ylmethyl) ester
CAS Number:
83583-40-8
Molecular Formula:
C13H14NO6-
Molecular Weight:
280.2534
IUPAC Name:
(2S)-2-amino-5-(1,3-benzodioxol-5-ylmethoxy)-5-oxopentanoate
InChI:
InChI=1S/C13H15NO6/c14-9(13(16)17)2-4-12(15)18-6-8-1-3-10-11(5-8)20-7-19-10/h1,3,5,9H,2,4,6-7,14H2,(H,16,17)/p-1/t9-/m0/s1
InChI Key:
WOJQXQYPBUKYGA-VIFPVBQESA-M
SMILES:
O=C(OCc1ccc2c(c1)OCO2)CC[C@@H](C(=O)[O-])N
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
280.082g/mol
Formal Charge:
-1
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.256g/mol
Monoisotopic Mass:
280.082g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
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