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Phthaloyl-L-alanine

CAT: 0024-sc-296082Size: 5 gDry Ice: NoHazardous: No
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CAT#:0024-sc-296082Size:5 g
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CAS Number
4192-28-3

Chemical Information

Pht-Ala-OH
CAS Number4192-28-3
PubChem CID720644
IUPAC Name(2S)-2-(1,3-dioxoisoindol-2-yl)propanoic acid
Molecular FormulaC11H9NO4
Molecular Weight219.19
XLogP1.3
Topological Polar Surface Area74.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity328
SMILES
C[C@@H](C(=O)O)N1C(=O)C2=CC=CC=C2C1=O
InChI
InChI=1S/C11H9NO4/c1-6(11(15)16)12-9(13)7-4-2-3-5-8(7)10(12)14/h2-6H,1H3,(H,15,16)/t6-/m0/s1
InChIKey
OZWUITKBAWTEAQ-LURJTMIESA-N
Chemical Structure
2D Structure
2D structure of Pht-Ala-OH
CAS: 4192-28-3
CID: 720644
Formula: C11H9NO4
MW: 219.19
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight219.19
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass219.05315777
Monoisotopic Mass219.05315777
Topological Polar Surface Area74.7 Ų
Heavy Atom Count16
Formal Charge0
Complexity328
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