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For-Phe-OMe

CAT: 0926-FF107840-02Size: 100 gDry Ice: NoHazardous: No
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CAT#:0926-FF107840-02Size:100 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2311-21-9
MDL Number
MFCD00153453
Smiles
COC (=O) [C@H] (CC1=CC=CC=C1) NC=O
Molecular Formula
C11H13NO3
Molecular Weight
207.23 g/mol
Controlled
No

Chemical Information

N-formylphenylalanine methyl ester
CAS Number2311-21-9
PubChem CID7016392
IUPAC Namemethyl (2S)-2-formamido-3-phenylpropanoate
Molecular FormulaC11H13NO3
Molecular Weight207.23
XLogP0.9
Topological Polar Surface Area55.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count15
Formal Charge0
Complexity212
SMILES
COC(=O)[C@H](CC1=CC=CC=C1)NC=O
InChI
InChI=1S/C11H13NO3/c1-15-11(14)10(12-8-13)7-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3,(H,12,13)/t10-/m0/s1
InChIKey
OPHMCBWUQRAKEO-JTQLQIEISA-N
Chemical Structure
2D Structure
2D structure of N-formylphenylalanine methyl ester
CAS: 2311-21-9
CID: 7016392
Formula: C11H13NO3
MW: 207.23
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight207.23
XLogP30.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass207.08954328
Monoisotopic Mass207.08954328
Topological Polar Surface Area55.4 Ų
Heavy Atom Count15
Formal Charge0
Complexity212
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