| CAS Number | 2122-68-1 |
| Catalog Number | AG00BV34(AGN-PC-0O7TX1) |
| Chemical Name | 1H-INDOLE-3-ACETIC ACID PROPYL ESTER |
| IUPAC Name | propyl 2-(1H-indol-3-yl)acetate |
| InChI | InChI=1S/C13H15NO2/c1-2-7-16-13(15)8-10-9-14-12-6-4-3-5-11(10)12/h3-6,9,14H,2,7-8H2,1H3 |
| InChI Key | MNSTXDVFCOCNAP-UHFFFAOYSA-N |
| MDL Number | MFCD22415258 |
| Molecular Formula | C13H15NO2 |
| Molecular Weight | 217.2637 |
| SMILES | O=C(OCCC)CC1=CNC2=C1C=CC=C2 |
| Synonyms | propyl 2-(1H-indol-3-yl)acetate,
2122-68-1,
1H-INDOLE-3-ACETIC ACID PROPYL ESTER,
KS-000007NU,
MFCD22415258,
ZINC57987651,
AKOS017265685,
PB30492,
AK171585,
AS-34758,
CS-0048743,
Q-2087,
1H-Indole-3-acetic acid propyl ester, AldrichCPR,
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| Complexity | 242 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.268g/mol |
| Monoisotopic Mass | 217.11g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 42.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
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