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66727-64-8 | 1-Ethyl-2-methyl-1H-indole-3-carbaldehyde
CAS No: 66727-64-8 Catalog No: AG006I8P MDL No:MFCD03906275
Product Description
Catalog Number:
AG006I8P
Chemical Name:
1-Ethyl-2-methyl-1H-indole-3-carbaldehyde
CAS Number:
66727-64-8
Molecular Formula:
C12H13NO
Molecular Weight:
187.2377
MDL Number:
MFCD03906275
IUPAC Name:
1-ethyl-2-methylindole-3-carbaldehyde
InChI:
InChI=1S/C12H13NO/c1-3-13-9(2)11(8-14)10-6-4-5-7-12(10)13/h4-8H,3H2,1-2H3
InChI Key:
CKZNBOCUQMXJFD-UHFFFAOYSA-N
SMILES:
O=Cc1c(C)n(c2c1cccc2)CC
Properties
Complexity:
216
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:
2
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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