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133831-28-4 | Methyl 3-formyl-1H-indole-6-carboxylate
CAS No: 133831-28-4 Catalog No: AG003RSB MDL No:MFCD00216479
Product Description
Catalog Number:
AG003RSB
Chemical Name:
Methyl 3-formyl-1H-indole-6-carboxylate
CAS Number:
133831-28-4
Molecular Formula:
C11H9NO3
Molecular Weight:
203.1941
MDL Number:
MFCD00216479
IUPAC Name:
methyl 3-formyl-1H-indole-6-carboxylate
InChI:
InChI=1S/C11H9NO3/c1-15-11(14)7-2-3-9-8(6-13)5-12-10(9)4-7/h2-6,12H,1H3
InChI Key:
KRDRROJESQUFMJ-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc2c(c1)[nH]cc2C=O
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.058g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
203.197g/mol
Monoisotopic Mass:
203.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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