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L-β-Indanylglycine

CAT: 0926-FI48034-01Size: 0.1 gDry Ice: NoHazardous: No
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CAT#:0926-FI48034-01Size:0.1 g
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CAS Number
155239-51-3
Synonyms
L-2-Indanylgly-OH
MDL Number
MFCD08275743
Smiles
O=C (O) [C@@H] (N) C1CC2=C (C=CC=C2) C1
Molecular Formula
C11H13NO2
Molecular Weight
191.23 g/mol
Controlled
No

Chemical Information

(S)-2-Amino-2-(2,3-dihydro-1H-inden-2-yl)acetic acid
CAS Number155239-51-3
PubChem CID11310031
IUPAC Name(2S)-2-amino-2-(2,3-dihydro-1H-inden-2-yl)acetic acid
Molecular FormulaC11H13NO2
Molecular Weight191.23
XLogP-1.1
Topological Polar Surface Area63.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity215
SMILES
C1C(CC2=CC=CC=C21)[C@@H](C(=O)O)N
InChI
InChI=1S/C11H13NO2/c12-10(11(13)14)9-5-7-3-1-2-4-8(7)6-9/h1-4,9-10H,5-6,12H2,(H,13,14)/t10-/m0/s1
InChIKey
GUDHMDVRURNAHL-JTQLQIEISA-N
Chemical Structure
2D Structure
2D structure of (S)-2-Amino-2-(2,3-dihydro-1H-inden-2-yl)acetic acid
CAS: 155239-51-3
CID: 11310031
Formula: C11H13NO2
MW: 191.23
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight191.23
XLogP3-1.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass191.094628657
Monoisotopic Mass191.094628657
Topological Polar Surface Area63.3 Ų
Heavy Atom Count14
Formal Charge0
Complexity215
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