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3-(2-carboxyethyl)-1H-indole-2-carboxylic acid

3-(2-carboxyethyl)-1H-indole-2-carboxylic acid

CAS: 31529-28-9

Formula: C12H11NO4

SMILES: OC(=O)CCC1=C(NC2=CC=CC=C12)C(O)=O

IUPAC: 3-(2-carboxyethyl)-1H-indole-2-carboxylic acid

InChI: InChI=1S/C12H11NO4/c14-10(15)6-5-8-7-3-1-2-4-9(7)13-11(8)12(16)17/h1-4,13H,5-6H2,(H,14,15)(H,16,17)

Composition: C (61.80%), H (4.75%), N (6.01%), O (27.44%)

Molar Mass: 233.223

Atom Count: 28

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 233.068807838
Formal Charge 0
FSP3 0.17
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 3
InChIKey BYJQAPYDPPKJGH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 60.19
Topological Polar Surface Area 90.39
Polarizability 23.91
Ring Count 2
Rotatable Bond Count 4

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95% <2 Days 31529-28-9 $202.14$202.14
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