2,3-Dihydro-1H-isoindole-1-carboxylic acid - CAS 66938-02-1
Catalog: |
BB033149 |
Product Name: |
2,3-Dihydro-1H-isoindole-1-carboxylic acid |
CAS: |
66938-02-1 |
Synonyms: |
2,3-dihydro-1H-isoindole-1-carboxylic acid; 2,3-dihydro-1H-isoindole-1-carboxylic acid |
IUPAC Name: | 2,3-dihydro-1H-isoindole-1-carboxylic acid |
Description: | 2,3-Dihydro-1H-isoindole-1-carboxylic acid (CAS# 66938-02-1) 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) |
InChI Key: | OFKFBEJYOHXPIA-UHFFFAOYSA-N |
Boiling Point: | 347.231 °C at 760 mmHg |
Purity: | 99 % |
Density: | 1.287 g/cm3 |
LogP: | 1.24430 |
GHS Hazard Statement: | H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111718290-A | Synthesis method of multi-configuration isoindoline-1-carboxylic acid amino acid compound | 20200722 |
US-2020390858-A1 | Combination Therapy for Modulating Bile Acid Homeostasis and Treatment of Bile Acid Disorders and Diseases | 20190417 |
WO-2020214753-A1 | Combination therapy for modulating bile acid homeostasis and treatment of bile acid disorders and diseases | 20190417 |
JP-2021523104-A | Pyridadinone as a PARP7 inhibitor | 20180430 |
JP-6942896-B2 | Pyridadinone as a PARP7 inhibitor | 20180430 |
Complexity: | 193 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 163.063328530 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 163.063328530 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 49.3 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -1.6 |
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