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Home > Aldehydes > 842973-82-4
842973-82-4 | 2-METHYL-1-PROP-2-YNYL-1H-INDOLE-3-CARBALDEHYDE
CAS No: 842973-82-4 Catalog No: AG004XYV MDL No:MFCD04342457
Product Description
Catalog Number:
AG004XYV
Chemical Name:
2-METHYL-1-PROP-2-YNYL-1H-INDOLE-3-CARBALDEHYDE
CAS Number:
842973-82-4
Molecular Formula:
C13H11NO
Molecular Weight:
197.2325
MDL Number:
MFCD04342457
IUPAC Name:
2-methyl-1-prop-2-ynylindole-3-carbaldehyde
InChI:
InChI=1S/C13H11NO/c1-3-8-14-10(2)12(9-15)11-6-4-5-7-13(11)14/h1,4-7,9H,8H2,2H3
InChI Key:
IXEINIMITYPXLQ-UHFFFAOYSA-N
SMILES:
C#CCn1c2ccccc2c(c1C)C=O
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.084g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.237g/mol
Monoisotopic Mass:
197.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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