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89368-54-7 | 1H-Indole-3-acetaldehyde, 4-ethenyl-
CAS No: 89368-54-7 Catalog No: AG003X4H MDL No:
Product Description
Catalog Number:
AG003X4H
Chemical Name:
1H-Indole-3-acetaldehyde, 4-ethenyl-
CAS Number:
89368-54-7
Molecular Formula:
C12H11NO
Molecular Weight:
185.2218
IUPAC Name:
2-(4-ethenyl-1H-indol-3-yl)acetaldehyde
InChI:
InChI=1S/C12H11NO/c1-2-9-4-3-5-11-12(9)10(6-7-14)8-13-11/h2-5,7-8,13H,1,6H2
InChI Key:
BZWHZKFQLWZSSP-UHFFFAOYSA-N
SMILES:
O=CCc1c[nH]c2c1c(C=C)ccc2
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.084g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
185.226g/mol
Monoisotopic Mass:
185.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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