(S)-Isoindoline-1-carboxylic Acid - CAS 118312-39-3
Catalog: |
BB004081 |
Product Name: |
(S)-Isoindoline-1-carboxylic Acid |
CAS: |
118312-39-3 |
Synonyms: |
(1S)-2,3-dihydro-1H-isoindole-1-carboxylic acid; (1S)-2,3-dihydro-1H-isoindole-1-carboxylic acid |
IUPAC Name: | (1S)-2,3-dihydro-1H-isoindole-1-carboxylic acid |
Description: | (S)-Isoindoline-1-carboxylic Acid (CAS# 118312-39-3 ) is a useful research chemical. |
Molecular Weight: | 163.17 |
Molecular Formula: | C9H9NO2 |
Canonical SMILES: | C1C2=CC=CC=C2C(N1)C(=O)O |
InChI: | InChI=1S/C9H9NO2/c11-9(12)8-7-4-2-1-3-6(7)5-10-8/h1-4,8,10H,5H2,(H,11,12)/t8-/m0/s1 |
InChI Key: | OFKFBEJYOHXPIA-QMMMGPOBSA-N |
Storage: | Sealed in dry, 2-8 °C |
LogP: | 1.24430 |
Publication Number | Title | Priority Date |
CN-111718290-A | Synthesis method of multi-configuration isoindoline-1-carboxylic acid amino acid compound | 20200722 |
US-2020317613-A1 | Chemical uncouplers of respiration and methods of use thereof | 20171130 |
US-2020216501-A1 | Cyclic peptides multimers targeting alpha-4-beta-7 integrin | 20161111 |
US-11111273-B2 | Cyclic peptides multimers targeting alpha-4-beta-7 integrin | 20161111 |
EP-3455221-A1 | Dimeric compounds | 20160509 |
Complexity: | 193 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 163.06332853 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 163.06332853 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 49.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -1.6 |
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