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3-Hydroxy-Alpha-methyl-tyrosine Methyl Ester

CAT: 0572-TRC-H785010-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H785010-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
158190-23-9
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
COC(=O)C(C)(N)Cc1ccc(O)c(O)c1
Molecular Formula
C11H15NO4
Molecular Weight
225.24
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

3-Hydroxy-Alpha-methyl-tyrosine Methyl Ester
CAS Number158190-23-9
PubChem CID13589970
IUPAC Namemethyl 2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoate
Molecular FormulaC11H15NO4
Molecular Weight225.24
XLogP0.7
Topological Polar Surface Area92.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count16
Formal Charge0
Complexity258
SMILES
CC(CC1=CC(=C(C=C1)O)O)(C(=O)OC)N
InChI
InChI=1S/C11H15NO4/c1-11(12,10(15)16-2)6-7-3-4-8(13)9(14)5-7/h3-5,13-14H,6,12H2,1-2H3
InChIKey
MKFJJXIMFTXSEM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Hydroxy-Alpha-methyl-tyrosine Methyl Ester
CAS: 158190-23-9
CID: 13589970
Formula: C11H15NO4
MW: 225.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight225.24
XLogP30.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass225.10010796
Monoisotopic Mass225.10010796
Topological Polar Surface Area92.8 Ų
Heavy Atom Count16
Formal Charge0
Complexity258
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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