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116052-00-7 | Octanedioic acid, 2-amino-, 8-(phenylmethyl) ester, (2S)-
CAS No: 116052-00-7 Catalog No: AG000BHC MDL No:MFCD00153480
Product Description
Catalog Number:
AG000BHC
Chemical Name:
Octanedioic acid, 2-amino-, 8-(phenylmethyl) ester, (2S)-
CAS Number:
116052-00-7
Molecular Formula:
C15H20NO4-
Molecular Weight:
278.3236
MDL Number:
MFCD00153480
IUPAC Name:
(2S)-2-amino-8-oxo-8-phenylmethoxyoctanoic acid
InChI:
InChI=1S/C15H21NO4/c16-13(15(18)19)9-5-2-6-10-14(17)20-11-12-7-3-1-4-8-12/h1,3-4,7-8,13H,2,5-6,9-11,16H2,(H,18,19)/t13-/m0/s1
InChI Key:
LHSQENYNJGOZKR-ZDUSSCGKSA-N
SMILES:
O=C(OCc1ccccc1)CCCCC[C@@H](C(=O)[O-])N
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
279.147g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
279.336g/mol
Monoisotopic Mass:
279.147g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
89.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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