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Home > Indoles and Oxindole > 81565-17-5
81565-17-5 | 4H-Indol-4-one, 1,5,6,7-tetrahydro-1-(2-propenyl)-
CAS No: 81565-17-5 Catalog No: AG0058HR MDL No:
Product Description
Catalog Number:
AG0058HR
Chemical Name:
4H-Indol-4-one, 1,5,6,7-tetrahydro-1-(2-propenyl)-
CAS Number:
81565-17-5
Molecular Formula:
C11H13NO
Molecular Weight:
175.2270
IUPAC Name:
1-prop-2-enyl-6,7-dihydro-5H-indol-4-one
InChI:
InChI=1S/C11H13NO/c1-2-7-12-8-6-9-10(12)4-3-5-11(9)13/h2,6,8H,1,3-5,7H2
InChI Key:
VYEFMVSTAZRINB-UHFFFAOYSA-N
SMILES:
C=CCn1ccc2c1CCCC2=O
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.1g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.231g/mol
Monoisotopic Mass:
175.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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