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Home > Indoles and Oxindole > 923293-11-2
923293-11-2 | 2-Butenal, 3-(1H-indol-3-yl)-, (2E)-
CAS No: 923293-11-2 Catalog No: AG0067PF MDL No:
Product Description
Catalog Number:
AG0067PF
Chemical Name:
2-Butenal, 3-(1H-indol-3-yl)-, (2E)-
CAS Number:
923293-11-2
Molecular Formula:
C12H11NO
Molecular Weight:
185.2218
IUPAC Name:
3-(1H-indol-3-yl)but-2-enal
InChI:
InChI=1S/C12H11NO/c1-9(6-7-14)11-8-13-12-5-3-2-4-10(11)12/h2-8,13H,1H3
InChI Key:
QFHBBCDGMYAABE-UHFFFAOYSA-N
SMILES:
O=C/C=C(/c1c[nH]c2c1cccc2)\C
Properties
Complexity:
247
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:
2
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
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