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Home > Indoles and Oxindole > 20849-58-5
20849-58-5 | 1H-Indole, 2,3-dihydro-3,3-dimethyl-2-methylene-1-(2-propen-1-yl)-
CAS No: 20849-58-5 Catalog No: AG002JPY MDL No:
Product Description
Catalog Number:
AG002JPY
Chemical Name:
1H-Indole, 2,3-dihydro-3,3-dimethyl-2-methylene-1-(2-propen-1-yl)-
CAS Number:
20849-58-5
Molecular Formula:
C14H17N
Molecular Weight:
199.2915
IUPAC Name:
3,3-dimethyl-2-methylidene-1-prop-2-enylindole
InChI:
InChI=1S/C14H17N/c1-5-10-15-11(2)14(3,4)12-8-6-7-9-13(12)15/h5-9H,1-2,10H2,3-4H3
InChI Key:
NPUYPZZLNWRTOX-UHFFFAOYSA-N
SMILES:
C=CCN1c2ccccc2C(C1=C)(C)C
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.136g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.297g/mol
Monoisotopic Mass:
199.136g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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