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30464-90-5 | 1H-Indole-2-carboxaldehyde, 5-methoxy-3-methyl-
CAS No: 30464-90-5 Catalog No: AG00306K MDL No:MFCD06011082
Product Description
Catalog Number:
AG00306K
Chemical Name:
1H-Indole-2-carboxaldehyde, 5-methoxy-3-methyl-
CAS Number:
30464-90-5
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
MDL Number:
MFCD06011082
IUPAC Name:
5-methoxy-3-methyl-1H-indole-2-carbaldehyde
InChI:
InChI=1S/C11H11NO2/c1-7-9-5-8(14-2)3-4-10(9)12-11(7)6-13/h3-6,12H,1-2H3
InChI Key:
HBQUHHXDJIUUIL-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c(C)c([nH]2)C=O
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.214g/mol
Monoisotopic Mass:
189.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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