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Home > Indoles and Oxindole > 93982-57-1
93982-57-1 | ISOPROPYL 1H-INDOLE-1-PROPIONATE
CAS No: 93982-57-1 Catalog No: AG006A3Z MDL No:
Product Description
Catalog Number:
AG006A3Z
Chemical Name:
ISOPROPYL 1H-INDOLE-1-PROPIONATE
CAS Number:
93982-57-1
Molecular Formula:
C14H17NO2
Molecular Weight:
231.2903
IUPAC Name:
propan-2-yl 3-indol-1-ylpropanoate
InChI:
InChI=1S/C14H17NO2/c1-11(2)17-14(16)8-10-15-9-7-12-5-3-4-6-13(12)15/h3-7,9,11H,8,10H2,1-2H3
InChI Key:
XLELSJIIIGUXID-UHFFFAOYSA-N
SMILES:
CC(OC(=O)CCn1ccc2c1cccc2)C
EC Number:
301-245-9
NSC Number:
87622
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.126g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.295g/mol
Monoisotopic Mass:
231.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
31.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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