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88927-58-6 | Phenylalanine, N-(3-ethoxy-1-methyl-3-oxopropylidene)-
CAS No: 88927-58-6 Catalog No: AG004884 MDL No:
Product Description
Catalog Number:
AG004884
Chemical Name:
Phenylalanine, N-(3-ethoxy-1-methyl-3-oxopropylidene)-
CAS Number:
88927-58-6
Molecular Formula:
C15H19NO4
Molecular Weight:
277.3157
IUPAC Name:
(2S)-2-[(4-ethoxy-4-oxobutan-2-ylidene)amino]-3-phenylpropanoic acid
InChI:
InChI=1S/C15H19NO4/c1-3-20-14(17)9-11(2)16-13(15(18)19)10-12-7-5-4-6-8-12/h4-8,13H,3,9-10H2,1-2H3,(H,18,19)/t13-/m0/s1
InChI Key:
NVEOONBJGWGINP-ZDUSSCGKSA-N
SMILES:
CCOC(=O)CC(=N[C@H](C(=O)O)Cc1ccccc1)C
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
277.131g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
277.32g/mol
Monoisotopic Mass:
277.131g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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