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83976-28-7 | 1H-Indole-1-carboxaldehyde, 2,3-dihydro-3-methyl-
CAS No: 83976-28-7 Catalog No: AG004UAG MDL No:
Product Description
Catalog Number:
AG004UAG
Chemical Name:
1H-Indole-1-carboxaldehyde, 2,3-dihydro-3-methyl-
CAS Number:
83976-28-7
Molecular Formula:
C10H11NO
Molecular Weight:
161.2004
IUPAC Name:
3-methyl-2,3-dihydroindole-1-carbaldehyde
InChI:
InChI=1S/C10H11NO/c1-8-6-11(7-12)10-5-3-2-4-9(8)10/h2-5,7-8H,6H2,1H3
InChI Key:
CCALERLRZIKVGJ-UHFFFAOYSA-N
SMILES:
O=CN1CC(c2c1cccc2)C
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.084g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.204g/mol
Monoisotopic Mass:
161.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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