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Home > Indoles and Oxindole > 93941-02-7
93941-02-7 | ISOPROPYL 1H-INDOLE-3-PROPIONATE
CAS No: 93941-02-7 Catalog No: AG005XN2 MDL No:
Product Description
Catalog Number:
AG005XN2
Chemical Name:
ISOPROPYL 1H-INDOLE-3-PROPIONATE
CAS Number:
93941-02-7
Molecular Formula:
C14H17NO2
Molecular Weight:
231.2903
IUPAC Name:
propan-2-yl 3-(1H-indol-3-yl)propanoate
InChI:
InChI=1S/C14H17NO2/c1-10(2)17-14(16)8-7-11-9-15-13-6-4-3-5-12(11)13/h3-6,9-10,15H,7-8H2,1-2H3
InChI Key:
ALEBZUNFHDQURI-UHFFFAOYSA-N
SMILES:
CC(OC(=O)CCc1c[nH]c2c1cccc2)C
EC Number:
300-501-7
NSC Number:
87625
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:
1
Isotope Atom Count:
0
Molecular Weight:
231.295g/mol
Monoisotopic Mass:
231.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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