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10601-19-1 | 5-Methoxyindole-3-carboxaldehyde
CAS No: 10601-19-1 Catalog No: AG007W1L MDL No:MFCD00005623
Product Description
Catalog Number:
AG007W1L
Chemical Name:
5-Methoxyindole-3-carboxaldehyde
CAS Number:
10601-19-1
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
MDL Number:
MFCD00005623
IUPAC Name:
5-methoxy-1H-indole-3-carbaldehyde
InChI:
InChI=1S/C10H9NO2/c1-13-8-2-3-10-9(4-8)7(6-12)5-11-10/h2-6,11H,1H3
InChI Key:
TUWARWGEOHQXCO-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c(C=O)c[nH]2
EC Number:
234-220-5
UNII:
63C50ZW2D0
NSC Number:
521754
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.063g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
175.187g/mol
Monoisotopic Mass:
175.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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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