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Home > Aldehydes > 116071-28-4
116071-28-4 | 1H-Indole-2-carboxaldehyde, 1-(2-propen-1-yl)-
CAS No: 116071-28-4 Catalog No: AG000BKA MDL No:
Product Description
Catalog Number:
AG000BKA
Chemical Name:
1H-Indole-2-carboxaldehyde, 1-(2-propen-1-yl)-
CAS Number:
116071-28-4
Molecular Formula:
C12H11NO
Molecular Weight:
185.2218
IUPAC Name:
1-prop-2-enylindole-2-carbaldehyde
InChI:
InChI=1S/C12H11NO/c1-2-7-13-11(9-14)8-10-5-3-4-6-12(10)13/h2-6,8-9H,1,7H2
InChI Key:
HEVKPTDQDYIIMQ-UHFFFAOYSA-N
SMILES:
C=CCn1c(C=O)cc2c1cccc2
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:
0
Isotope Atom Count:
0
Molecular Weight:
185.226g/mol
Monoisotopic Mass:
185.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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