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49696-72-2 | 1H-Isoindole, 2-(1,1-dimethyl-2-propynyl)-2,3-dihydro-
CAS No: 49696-72-2 Catalog No: AG006YX3 MDL No:
Product Description
Catalog Number:
AG006YX3
Chemical Name:
1H-Isoindole, 2-(1,1-dimethyl-2-propynyl)-2,3-dihydro-
CAS Number:
49696-72-2
Molecular Formula:
C13H15N
Molecular Weight:
185.2649
IUPAC Name:
2-(2-methylbut-3-yn-2-yl)-1,3-dihydroisoindole
InChI:
InChI=1S/C13H15N/c1-4-13(2,3)14-9-11-7-5-6-8-12(11)10-14/h1,5-8H,9-10H2,2-3H3
InChI Key:
KHEGZLXMNNDXCF-UHFFFAOYSA-N
SMILES:
C#CC(N1Cc2c(C1)cccc2)(C)C
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.12g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.27g/mol
Monoisotopic Mass:
185.12g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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