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6636-22-2 | O-Acetyl-L-tyrosine
CAS No: 6636-22-2 Catalog No: AG003RDN MDL No:MFCD01075700
Product Description
Catalog Number:
AG003RDN
Chemical Name:
O-Acetyl-L-tyrosine
CAS Number:
6636-22-2
Molecular Formula:
C11H13NO4
Molecular Weight:
223.2252
MDL Number:
MFCD01075700
IUPAC Name:
(2S)-3-(4-acetyloxyphenyl)-2-aminopropanoic acid
InChI:
InChI=1S/C11H13NO4/c1-7(13)16-9-4-2-8(3-5-9)6-10(12)11(14)15/h2-5,10H,6,12H2,1H3,(H,14,15)/t10-/m0/s1
InChI Key:
QBFQXAKABOKEHT-JTQLQIEISA-N
SMILES:
CC(=O)Oc1ccc(cc1)C[C@@H](C(=O)O)N
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
223.084g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
223.228g/mol
Monoisotopic Mass:
223.084g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
89.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4
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