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921929-70-6 | Pentanoic acid, 1H-indol-3-yl ester
CAS No: 921929-70-6 Catalog No: AG006FX8 MDL No:
Product Description
Catalog Number:
AG006FX8
Chemical Name:
Pentanoic acid, 1H-indol-3-yl ester
CAS Number:
921929-70-6
Molecular Formula:
C13H15NO2
Molecular Weight:
217.2637
IUPAC Name:
1H-indol-3-yl pentanoate
InChI:
InChI=1S/C13H15NO2/c1-2-3-8-13(15)16-12-9-14-11-7-5-4-6-10(11)12/h4-7,9,14H,2-3,8H2,1H3
InChI Key:
KOQCFLFIBPPWKK-UHFFFAOYSA-N
SMILES:
CCCCC(=O)Oc1c[nH]c2c1cccc2
Properties
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:
3.4
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