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Home > Indoles and Oxindole > 49850-32-0
49850-32-0 | ethyl 4-(1H-indol-3-yl)butanoate
CAS No: 49850-32-0 Catalog No: AG00J4NM MDL No:MFCD00087276
Product Description
Catalog Number:
AG00J4NM
Chemical Name:
ethyl 4-(1H-indol-3-yl)butanoate
CAS Number:
49850-32-0
Molecular Formula:
C14H17NO2
Molecular Weight:
231.2903
MDL Number:
MFCD00087276
IUPAC Name:
ethyl 4-(1H-indol-3-yl)butanoate
InChI:
InChI=1S/C14H17NO2/c1-2-17-14(16)9-5-6-11-10-15-13-8-4-3-7-12(11)13/h3-4,7-8,10,15H,2,5-6,9H2,1H3
InChI Key:
IOPNPSITAMJKFR-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCc1c[nH]c2c1cccc2
NSC Number:
158562
Properties
Complexity:
255
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:
6
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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