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823195-89-7 | L-Tyrosine, N-[(2E)-1-oxo-2-butenyl]-
CAS No: 823195-89-7 Catalog No: AG005F62 MDL No:
Product Description
Catalog Number:
AG005F62
Chemical Name:
L-Tyrosine, N-[(2E)-1-oxo-2-butenyl]-
CAS Number:
823195-89-7
Molecular Formula:
C13H15NO4
Molecular Weight:
249.2625
IUPAC Name:
(2S)-2-(but-2-enoylamino)-3-(4-hydroxyphenyl)propanoic acid
InChI:
InChI=1S/C13H15NO4/c1-2-3-12(16)14-11(13(17)18)8-9-4-6-10(15)7-5-9/h2-7,11,15H,8H2,1H3,(H,14,16)(H,17,18)/t11-/m0/s1
InChI Key:
OCRUMEOUJTTZCW-NSHDSACASA-N
SMILES:
C/C=C/C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
249.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
249.266g/mol
Monoisotopic Mass:
249.1g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
86.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.6
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