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21778-81-4 | 5-Methoxy-1H-indole-2-carbaldehyde
CAS No: 21778-81-4 Catalog No: AG007P6H MDL No:MFCD00297147
Product Description
Catalog Number:
AG007P6H
Chemical Name:
5-Methoxy-1H-indole-2-carbaldehyde
CAS Number:
21778-81-4
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
MDL Number:
MFCD00297147
IUPAC Name:
5-methoxy-1H-indole-2-carbaldehyde
InChI:
InChI=1S/C10H9NO2/c1-13-9-2-3-10-7(5-9)4-8(6-12)11-10/h2-6,11H,1H3
InChI Key:
IEHXXJMABHGXCG-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)cc([nH]2)C=O
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:
1.8
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