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Methyl D-Tyrosinate

CAT: 0024-sc-484088Size: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-484088Size:1 g
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CAS Number
3410-66-0

Chemical Information

Methyl D-tyrosinate
CAS Number3410-66-0
PubChem CID735796
IUPAC Namemethyl (2R)-2-amino-3-(4-hydroxyphenyl)propanoate
Molecular FormulaC10H13NO3
Molecular Weight195.21
XLogP0.3
Topological Polar Surface Area72.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count14
Formal Charge0
Complexity188
SMILES
COC(=O)[C@@H](CC1=CC=C(C=C1)O)N
InChI
InChI=1S/C10H13NO3/c1-14-10(13)9(11)6-7-2-4-8(12)5-3-7/h2-5,9,12H,6,11H2,1H3/t9-/m1/s1
InChIKey
MWZPENIJLUWBSY-SECBINFHSA-N
Chemical Structure
2D Structure
2D structure of Methyl D-tyrosinate
CAS: 3410-66-0
CID: 735796
Formula: C10H13NO3
MW: 195.21
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight195.21
XLogP30.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass195.08954328
Monoisotopic Mass195.08954328
Topological Polar Surface Area72.6 Ų
Heavy Atom Count14
Formal Charge0
Complexity188
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes