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Home > Indoles and Oxindole > 20056-76-2
20056-76-2 | 2-(prop-2-yn-1-yl)-2,3-dihydro-1H-isoindole
CAS No: 20056-76-2 Catalog No: AG01B1FL MDL No:MFCD16692336
Product Description
Catalog Number:
AG01B1FL
Chemical Name:
2-(prop-2-yn-1-yl)-2,3-dihydro-1H-isoindole
CAS Number:
20056-76-2
Molecular Formula:
C11H11N
Molecular Weight:
157.2117
MDL Number:
MFCD16692336
IUPAC Name:
2-prop-2-ynyl-1,3-dihydroisoindole
InChI:
InChI=1S/C11H11N/c1-2-7-12-8-10-5-3-4-6-11(10)9-12/h1,3-6H,7-9H2
InChI Key:
KFASFIUMEUPOOS-UHFFFAOYSA-N
SMILES:
C#CCN1Cc2c(C1)cccc2
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.089g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
157.216g/mol
Monoisotopic Mass:
157.089g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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