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100050-55-3 | Aspartic acid, N-hexyl-, 4-methyl ester
CAS No: 100050-55-3 Catalog No: AG0000OB MDL No:
Product Description
Catalog Number:
AG0000OB
Chemical Name:
Aspartic acid, N-hexyl-, 4-methyl ester
CAS Number:
100050-55-3
Molecular Formula:
C11H20NO4-
Molecular Weight:
230.2808
IUPAC Name:
2-(hexylamino)-4-methoxy-4-oxobutanoate
InChI:
InChI=1S/C11H21NO4/c1-3-4-5-6-7-12-9(11(14)15)8-10(13)16-2/h9,12H,3-8H2,1-2H3,(H,14,15)/p-1
InChI Key:
HYWOTEAZBCZSQO-UHFFFAOYSA-M
SMILES:
CCCCCCN[C@H](C(=O)[O-])CC(=O)OC
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.139g/mol
Formal Charge:
-1
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.284g/mol
Monoisotopic Mass:
230.139g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
78.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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