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81852-01-9 | BENZYL N-BENZYLIDENEALANINATE
CAS No: 81852-01-9 Catalog No: AG005H5G MDL No:
Product Description
Catalog Number:
AG005H5G
Chemical Name:
BENZYL N-BENZYLIDENEALANINATE
CAS Number:
81852-01-9
Molecular Formula:
C17H17NO2
Molecular Weight:
267.3224
IUPAC Name:
benzyl (2S)-2-(benzylideneamino)propanoate
InChI:
InChI=1S/C17H17NO2/c1-14(18-12-15-8-4-2-5-9-15)17(19)20-13-16-10-6-3-7-11-16/h2-12,14H,13H2,1H3/t14-/m0/s1
InChI Key:
MTPUINJSJWMGRO-AWEZNQCLSA-N
SMILES:
C[C@@H](C(=O)OCc1ccccc1)N=Cc1ccccc1
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
267.126g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.328g/mol
Monoisotopic Mass:
267.126g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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