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Home > Indoles and Oxindole > 1368911-80-1
1368911-80-1 | 1H-Indole, 3-(3-azetidinyl)-
CAS No: 1368911-80-1 Catalog No: AG0012JE MDL No:MFCD27924173
Product Description
Catalog Number:
AG0012JE
Chemical Name:
1H-Indole, 3-(3-azetidinyl)-
CAS Number:
1368911-80-1
Molecular Formula:
C11H12N2
Molecular Weight:
172.2264
MDL Number:
MFCD27924173
IUPAC Name:
3-(azetidin-3-yl)-1H-indole
InChI:
InChI=1S/C11H12N2/c1-2-4-11-9(3-1)10(7-13-11)8-5-12-6-8/h1-4,7-8,12-13H,5-6H2
InChI Key:
MKTVSXQMFHOMLJ-UHFFFAOYSA-N
SMILES:
N1CC(C1)c1c[nH]c2c1cccc2
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.1g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
172.231g/mol
Monoisotopic Mass:
172.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
27.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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