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41601-98-3 | 1H-Indole-1-carboxaldehyde, 2,3-dimethyl-
CAS No: 41601-98-3 Catalog No: AG0071NQ MDL No:
Product Description
Catalog Number:
AG0071NQ
Chemical Name:
1H-Indole-1-carboxaldehyde, 2,3-dimethyl-
CAS Number:
41601-98-3
Molecular Formula:
C11H11NO
Molecular Weight:
173.2111
IUPAC Name:
2,3-dimethylindole-1-carbaldehyde
InChI:
InChI=1S/C11H11NO/c1-8-9(2)12(7-13)11-6-4-3-5-10(8)11/h3-7H,1-2H3
InChI Key:
DKHGDEYCBJPSQS-UHFFFAOYSA-N
SMILES:
O=Cn1c(C)c(c2c1cccc2)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:
0
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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