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853152-74-6 | Octanedioic acid, 2-(acetylamino)-, 8-(1,1-dimethylethyl) ester
CAS No: 853152-74-6 Catalog No: AG004P8I MDL No:
Product Description
Catalog Number:
AG004P8I
Chemical Name:
Octanedioic acid, 2-(acetylamino)-, 8-(1,1-dimethylethyl) ester
CAS Number:
853152-74-6
Molecular Formula:
C14H24NO5-
Molecular Weight:
286.3441
IUPAC Name:
2-acetamido-8-[(2-methylpropan-2-yl)oxy]-8-oxooctanoate
InChI:
InChI=1S/C14H25NO5/c1-10(16)15-11(13(18)19)8-6-5-7-9-12(17)20-14(2,3)4/h11H,5-9H2,1-4H3,(H,15,16)(H,18,19)/p-1
InChI Key:
QWSQUXGPMRDOCA-UHFFFAOYSA-M
SMILES:
CC(=O)NC(C(=O)[O-])CCCCCC(=O)OC(C)(C)C
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.165g/mol
Formal Charge:
-1
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
286.348g/mol
Monoisotopic Mass:
286.165g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
95.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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