2-(5-Cyclopropyl-1H-indol-3-yl)acetic acid - CAS 1144102-34-0
Catalog: |
BB044554 |
Product Name: |
2-(5-Cyclopropyl-1H-indol-3-yl)acetic acid |
CAS: |
1144102-34-0 |
Synonyms: |
1H-Indole-3-acetic acid, 5-cyclopropyl- |
IUPAC Name: | 2-(5-cyclopropyl-1H-indol-3-yl)acetic acid |
Description: | 2-(5-Cyclopropyl-1H-indol-3-yl)acetic acid (CAS# 1144102-34-0 ) is a useful research chemical. |
Molecular Weight: | 215.25 |
Molecular Formula: | C13H13NO2 |
Canonical SMILES: | C1CC1C2=CC3=C(C=C2)NC=C3CC(=O)O |
InChI: | InChI=1S/C13H13NO2/c15-13(16)6-10-7-14-12-4-3-9(5-11(10)12)8-1-2-8/h3-5,7-8,14H,1-2,6H2,(H,15,16) |
InChI Key: | YTPPINIMQMFSTK-UHFFFAOYSA-N |
Boiling Point: | 466.9±30.0 °C (Predicted) |
Purity: | ≥ 95 % |
Density: | 1.368±0.06 g/cm3 |
Complexity: | 288 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 215.094628657 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 215.094628657 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 53.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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