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140946-49-2 | L-Aspartic acid, N-(iodoacetyl)-, 4-(1,1-dimethylethyl) ester (9CI)
CAS No: 140946-49-2 Catalog No: AG001FOA MDL No:
Product Description
Catalog Number:
AG001FOA
Chemical Name:
L-Aspartic acid, N-(iodoacetyl)-, 4-(1,1-dimethylethyl) ester (9CI)
CAS Number:
140946-49-2
Molecular Formula:
C10H15INO5-
Molecular Weight:
356.1343
IUPAC Name:
2-[(2-iodoacetyl)amino]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoate
InChI:
InChI=1S/C10H16INO5/c1-10(2,3)17-8(14)4-6(9(15)16)12-7(13)5-11/h6H,4-5H2,1-3H3,(H,12,13)(H,15,16)/p-1
InChI Key:
WRNQZONEDPAYMR-UHFFFAOYSA-M
SMILES:
ICC(=O)N[C@H](C(=O)[O-])CC(=O)OC(C)(C)C
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.999g/mol
Formal Charge:
-1
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
356.136g/mol
Monoisotopic Mass:
355.999g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
95.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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