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Home > Aldehydes > 170489-16-4
170489-16-4 | 1H-Indole-3-carboxaldehyde, 1,4-dimethyl-
CAS No: 170489-16-4 Catalog No: AG007UCT MDL No:MFCD11505328
Product Description
Catalog Number:
AG007UCT
Chemical Name:
1H-Indole-3-carboxaldehyde, 1,4-dimethyl-
CAS Number:
170489-16-4
Molecular Formula:
C11H11NO
Molecular Weight:
173.2111
MDL Number:
MFCD11505328
IUPAC Name:
1,4-dimethylindole-3-carbaldehyde
InChI:
InChI=1S/C11H11NO/c1-8-4-3-5-10-11(8)9(7-13)6-12(10)2/h3-7H,1-2H3
InChI Key:
QGFBNIAKXKURCE-UHFFFAOYSA-N
SMILES:
O=Cc1cn(c2c1c(C)ccc2)C
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.084g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
173.215g/mol
Monoisotopic Mass:
173.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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