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3-Styryl-L-alanine

CAT: 0024-sc-289248Size: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-289248Size:1 g
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CAS Number
267650-37-3

Chemical Information

2-Amino-5-phenyl-(2s)-4-pentenoic acid
CAS Number267650-37-3
PubChem CID5706669
IUPAC Name(E,2S)-2-amino-5-phenylpent-4-enoic acid
Molecular FormulaC11H13NO2
Molecular Weight191.23
XLogP-0.8
Topological Polar Surface Area63.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count14
Formal Charge0
Complexity207
SMILES
C1=CC=C(C=C1)/C=C/C[C@@H](C(=O)O)N
InChI
InChI=1S/C11H13NO2/c12-10(11(13)14)8-4-7-9-5-2-1-3-6-9/h1-7,10H,8,12H2,(H,13,14)/b7-4+/t10-/m0/s1
InChIKey
MCGSKGBMVBECNS-QBBOHKLWSA-N
Chemical Structure
2D Structure
2D structure of 2-Amino-5-phenyl-(2s)-4-pentenoic acid
CAS: 267650-37-3
CID: 5706669
Formula: C11H13NO2
MW: 191.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight191.23
XLogP3-0.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass191.094628657
Monoisotopic Mass191.094628657
Topological Polar Surface Area63.3 Ų
Heavy Atom Count14
Formal Charge0
Complexity207
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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