Benzenebutanoic acid, a-[[(phenylmethoxy)carbonyl]amino]-, (aS)-


Chemical Name: Benzenebutanoic acid, a-[[(phenylmethoxy)carbonyl]amino]-, (aS)-
CAS Number: 127862-89-9
Product Number: AG000XHT(AGN-PC-0PINK2)
Synonyms:
MDL No:
Molecular Formula: C18H19NO4
Molecular Weight: 313.3478

Identification/Properties


Computed Properties
Molecular Weight:
313.353g/mol
XLogP3:
3.4
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
8
Exact Mass:
313.131g/mol
Monoisotopic Mass:
313.131g/mol
Topological Polar Surface Area:
75.6A^2
Heavy Atom Count:
23
Formal Charge:
0
Complexity:
373
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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