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Home > Aldehydes > 299935-67-4
299935-67-4 | 1-[2-(2-METHYLPHENOXY)ETHYL]-1H-INDOLE-3-CARBALDEHYDE
CAS No: 299935-67-4 Catalog No: AG00BETP MDL No:MFCD02197469
Product Description
Catalog Number:
AG00BETP
Chemical Name:
1-[2-(2-METHYLPHENOXY)ETHYL]-1H-INDOLE-3-CARBALDEHYDE
CAS Number:
299935-67-4
Molecular Formula:
C18H17NO2
Molecular Weight:
279.3331
MDL Number:
MFCD02197469
IUPAC Name:
1-[2-(2-methylphenoxy)ethyl]indole-3-carbaldehyde
InChI:
InChI=1S/C18H17NO2/c1-14-6-2-5-9-18(14)21-11-10-19-12-15(13-20)16-7-3-4-8-17(16)19/h2-9,12-13H,10-11H2,1H3
InChI Key:
VLODCKSYZHDUEN-UHFFFAOYSA-N
SMILES:
O=Cc1cn(c2c1cccc2)CCOc1ccccc1C
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.126g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.339g/mol
Monoisotopic Mass:
279.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
31.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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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