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201354-26-9 | Hexanedioic acid, 2-amino-, 6-(1,1-dimethylethyl) ester, (2S)- (9CI)
CAS No: 201354-26-9 Catalog No: AG002DCX MDL No:MFCD08272285
Product Description
Catalog Number:
AG002DCX
Chemical Name:
Hexanedioic acid, 2-amino-, 6-(1,1-dimethylethyl) ester, (2S)- (9CI)
CAS Number:
201354-26-9
Molecular Formula:
C10H18NO4-
Molecular Weight:
216.2542
MDL Number:
MFCD08272285
IUPAC Name:
(2S)-2-amino-6-[(2-methylpropan-2-yl)oxy]-6-oxohexanoic acid
InChI:
InChI=1S/C10H19NO4/c1-10(2,3)15-8(12)6-4-5-7(11)9(13)14/h7H,4-6,11H2,1-3H3,(H,13,14)/t7-/m0/s1
InChI Key:
WWSDFHPRIJAESZ-ZETCQYMHSA-N
SMILES:
O=C(OC(C)(C)C)CCC[C@@H](C(=O)[O-])N
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
217.131g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
217.265g/mol
Monoisotopic Mass:
217.131g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
89.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.8
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