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Home > Aldehydes > 173531-53-8
173531-53-8 | 1H-Indole-3-carboxaldehyde, 1-(2-propyn-1-yl)-
CAS No: 173531-53-8 Catalog No: AG001Z03 MDL No:MFCD02629524
Product Description
Catalog Number:
AG001Z03
Chemical Name:
1H-Indole-3-carboxaldehyde, 1-(2-propyn-1-yl)-
CAS Number:
173531-53-8
Molecular Formula:
C12H9NO
Molecular Weight:
183.2060
MDL Number:
MFCD02629524
IUPAC Name:
1-prop-2-ynylindole-3-carbaldehyde
InChI:
InChI=1S/C12H9NO/c1-2-7-13-8-10(9-14)11-5-3-4-6-12(11)13/h1,3-6,8-9H,7H2
InChI Key:
DETIMAFLOAYCBG-UHFFFAOYSA-N
SMILES:
C#CCn1cc(c2c1cccc2)C=O
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.068g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.21g/mol
Monoisotopic Mass:
183.068g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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