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Home > Aldehydes > 137542-66-6
137542-66-6 | 1H-Indole-4-carboxaldehyde, 1-acetyl-7-hydroxy-6-methoxy-
CAS No: 137542-66-6 Catalog No: AG0013J2 MDL No:
Product Description
Catalog Number:
AG0013J2
Chemical Name:
1H-Indole-4-carboxaldehyde, 1-acetyl-7-hydroxy-6-methoxy-
CAS Number:
137542-66-6
Molecular Formula:
C12H11NO4
Molecular Weight:
233.2200
IUPAC Name:
1-acetyl-7-hydroxy-6-methoxyindole-4-carbaldehyde
InChI:
InChI=1S/C12H11NO4/c1-7(15)13-4-3-9-8(6-14)5-10(17-2)12(16)11(9)13/h3-6,16H,1-2H3
InChI Key:
GWYNBYICGGBERP-UHFFFAOYSA-N
SMILES:
COc1cc(C=O)c2c(c1O)n(cc2)C(=O)C
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.069g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.223g/mol
Monoisotopic Mass:
233.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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