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Home > Aldehydes > 842971-69-1
842971-69-1 | 1,2,6-TRIMETHYL-1H-INDOLE-3-CARBALDEHYDE
CAS No: 842971-69-1 Catalog No: AG004TI3 MDL No:MFCD06589824
Product Description
Catalog Number:
AG004TI3
Chemical Name:
1,2,6-TRIMETHYL-1H-INDOLE-3-CARBALDEHYDE
CAS Number:
842971-69-1
Molecular Formula:
C12H13NO
Molecular Weight:
187.2377
MDL Number:
MFCD06589824
IUPAC Name:
1,2,6-trimethylindole-3-carbaldehyde
InChI:
InChI=1S/C12H13NO/c1-8-4-5-10-11(7-14)9(2)13(3)12(10)6-8/h4-7H,1-3H3
InChI Key:
YBGXUYISVFDXIF-UHFFFAOYSA-N
SMILES:
O=Cc1c(C)n(c2c1ccc(c2)C)C
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.1g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.242g/mol
Monoisotopic Mass:
187.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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