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Home > Aldehydes > 128600-67-9
128600-67-9 | 5-METHOXY-1-PROPYL-1H-INDOLE-3-CARBALDEHYDE
CAS No: 128600-67-9 Catalog No: AG009BB9 MDL No:MFCD07186534
Product Description
Catalog Number:
AG009BB9
Chemical Name:
5-METHOXY-1-PROPYL-1H-INDOLE-3-CARBALDEHYDE
CAS Number:
128600-67-9
Molecular Formula:
C13H15NO2
Molecular Weight:
217.2637
MDL Number:
MFCD07186534
IUPAC Name:
5-methoxy-1-propylindole-3-carbaldehyde
InChI:
InChI=1S/C13H15NO2/c1-3-6-14-8-10(9-15)12-7-11(16-2)4-5-13(12)14/h4-5,7-9H,3,6H2,1-2H3
InChI Key:
KNBADAAZAKZNQS-UHFFFAOYSA-N
SMILES:
CCCn1cc(c2c1ccc(c2)OC)C=O
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.11g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.268g/mol
Monoisotopic Mass:
217.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
31.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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