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Home > Indoles and Oxindole > 864840-02-8
864840-02-8 | 1H-Indole, 2-(3-buten-1-ynyl)-
CAS No: 864840-02-8 Catalog No: AG004VLW MDL No:
Product Description
Catalog Number:
AG004VLW
Chemical Name:
1H-Indole, 2-(3-buten-1-ynyl)-
CAS Number:
864840-02-8
Molecular Formula:
C12H9N
Molecular Weight:
167.2066
IUPAC Name:
2-but-3-en-1-ynyl-1H-indole
InChI:
InChI=1S/C12H9N/c1-2-3-7-11-9-10-6-4-5-8-12(10)13-11/h2,4-6,8-9,13H,1H2
InChI Key:
KYGBYSYZILUWLC-UHFFFAOYSA-N
SMILES:
C=CC#Cc1cc2c([nH]1)cccc2
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.073g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
167.211g/mol
Monoisotopic Mass:
167.073g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
15.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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